Genegobio Inc.

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Profile: Genegobio, Inc. is a supplier of active pharmaceutical ingredients. Our products include adefovir dipivoxil, adenosine, adriamycin, alendronate sodium, ambroxol Hcl, amifostine, amikacin sulfate, amlexanox, amlodipine besylate, and amorolfine Hcl.

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• Pemetrexed disodium

IUPAC Name: (2S)-2-[[4-[2-[2-amino-4-oxo-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 150399-23-8
Synonyms: AIDS096718, AIDS-096718, NCGC00164627-01, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrimidin-5-yl)ethyl]benzoyl]-glutamic acid

Molecular Formula:	C₂₇H₂₇N₅O₆	Molecular Weight:	517.533180 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: RXMOUCBSRHJOCG-FQEVSTJZSA-N

• Pemirolast potassium

IUPAC Name: potassium 9-methyl-3-(2,3,4-triaza-5-azanida-1-yl)pyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 100299-08-9
Synonyms: Pemilaston, Alamast, Alegysal, Pemilaston (TN), Alegysal (TN), PEMIROLAST POTASSIUM, Alamast (TN), Pemirolast potassium salt, TBX, Pemirolast Potassium, CCRIS 3562, Pemirolast potassium [USAN:JAN], C10H9N6O.K, BMY 26517, Pemirolast potassium (JAN/USAN), TWT-8152, BMY-26517, DE-068, LS-134189, D01088, TBX

Molecular Formula:	C₁₀H₇KN₆O	Molecular Weight:	266.300480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: NMMVKSMGBDRONO-UHFFFAOYSA-N

• Penciclovir

IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one | CAS Registry Number: 39809-25-1
Synonyms: penciclovir, Denavir, Vectavir, Pencyclovir, Adenovir, Denavir (TN), Penciclovirum [INN-Latin], Penciclovir (USAN/INN), MLS000759422, MLS001424110, BRL 39123, Penciclovir [USAN:BAN:INN], Penciclovir [USAN:INN:BAN], CCRIS 9213, BRL-39123, AIDS070978, AIDS093112, AIDS093113, AIDS093114, C10H15N5O3

Molecular Formula:	C₁₀H₁₅N₅O₃	Molecular Weight:	253.257800 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: JNTOCHDNEULJHD-UHFFFAOYSA-N

• Peplomycin

IUPAC Name: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate; sulfuric acid | CAS Registry Number: 68247-85-8
Synonyms: Pepleo, Pepleomycin sulfate, Pepleomycin, peplomycin sulfate, Peplomycin sulfate salt, BLM-PEP(-CU), CCRIS 2471, Peplomycin Sulfate (1:1), Peplomycin sulfate [USAN:JAN], EINECS 274-588-4, NK 631, NSC276382, NSC 276382, BLEOMYCIN PEP -CU (FORMERLY), C61H88N18O21S2.H2O4S, Peplomycin Sulfate (sulfate salt 1:1), LS-102345, 3-((S)-1'-Phenylethylamino)propylamino-bleomycin sulfate, Bleomycinamide, N(sup 1)-(3-((1-phenylethyl)amino)propyl)-, (S)-, sulfate (1:1) (salt), Bleomycinamide, N1-(3-((1-phenylethyl)amino)propyl)-, (S)-, sulfate (1:1) (salt)

Molecular Formula:	C₆₁H₉₀N₁₈O₂₅S₃	Molecular Weight:	1571.667900 [g/mol]
H-Bond Donor:	23	H-Bond Acceptor:	35

InChIKey: ZHHIHQFAUZZMTG-UHFFFAOYSA-N

• Piperacillin Acid

IUPAC Name: sodium;(2R,5S,6S)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Molecular Formula:	C₂₃H₂₆N₅NaO₇S	Molecular Weight:	539.539 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: WCMIIGXFCMNQDS-RAMASXNTSA-M

• Piperacillin sodium

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 59703-84-3
Synonyms: piperacillin, Pipracil, Pipercillin, Pipril, Piperacillin anhydrous, Pipracil, Piper, Piperacillin (anhydrous), Prestwick0_000755, Prestwick1_000755, Prestwick2_000755, Prestwick3_000755, PIPERACILLIN SODIUM, CCRIS 7362, Piperacillin Monosodium Salt, BSPBio_000770, SPBio_002709, BPBio1_000848, C23H27N5O7S, EINECS 262-811-8, AIDS007751

Molecular Formula:	C₂₃H₂₇N₅O₇S	Molecular Weight:	517.554780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: IVBHGBMCVLDMKU-GXNBUGAJSA-N

• Pirlimycin

IUPAC Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethylpiperidine-2-carboxamide | CAS Registry Number: 79548-73-5
Synonyms: Pirlimycine [INN-French], Pirlimycinum [INN-Latin], Pirlimycina [INN-Spanish], CID157385, L-threo-alpha-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,4R)-4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-, L-threo-alpha-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-, (2S-cis)-

Molecular Formula:	C₁₇H₃₁ClN₂O₅S	Molecular Weight:	410.956440 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: HBJOXQRURQPDEX-MHXMMLMNSA-N

• Pranlukast Hydrate

IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide; N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide; hydrate | CAS Registry Number: 150821-03-7
Synonyms: pranlukast hydrate, Onon, Onon (TN), Pranlukast hydrate (JAN), CID11979774, LS-184856, D02732, Benzamide, N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)-, hydrate (2:1), bis{N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[(4-phenylbutyl)oxy]benzamide} hydrate

Molecular Formula:	C₅₄H₄₈N₁₀O₉	Molecular Weight:	981.020520 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: MSXTUBJFNBZPGC-UHFFFAOYSA-N

• Pravastatin sodium

IUPAC Name: sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 81131-70-6
Synonyms: Pravachol, Pravaselect, Mevalotin, Lipostat, Elisor, Aplactin, Bristacol, Liprevil, Pralidon, Prareduct, Pravacol, Pravasin, Pravasine, Sanaprav, Selektine, Selipran, Lipemol, Lipidal, Vasen, Epastatin sodium

Molecular Formula:	C₂₃H₃₅NaO₇	Molecular Weight:	446.509570 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: VWBQYTRBTXKKOG-IYNICTALSA-M

• Progesterone

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 57-83-0
Synonyms: progesterone, Crinone, Luteohormone, Progesteronum, Syngesterone, Prometrium, Utrogestan, Cyclogest, Progestin, Agolutin, Glanducorpin, Hormoflaveine, Methylpregnone, Pregnenedione, Progestasert, Progestronol, Flavolutan, Gestormone, Gynolutone, Hormoluton

Molecular Formula:	C₂₁H₃₀O₂	Molecular Weight:	314.461700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

• Quinazoline

IUPAC Name: quinazoline | CAS Registry Number: 253-82-7
Synonyms: Phenmiazine, QUINAZOLINE, 1,3-Benzodiazine, Benzopyrimidine, Chinazolin, Benzo[a]pyrimidine, 5,6-Benzopyrimidine, 1,3-Diazanaphthalene, Benzo(a)pyrimidine, NCIOpen2_000549, WLN: T66 BN DNJ, 123323_ALDRICH, CHEBI:36621, NSC72372, EINECS 205-965-3, NSC 72372, ZINC00160344, TL8002060, AC-907/25014195, CU-00000000401-1

Molecular Formula:	C₈H₆N₂	Molecular Weight:	130.146640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N

• Racecadotril

IUPAC Name: N-[(E)-2-nitrosoethenyl]hydroxylamine | CAS Registry Number: 557-30-2
Synonyms: Glyoxime, Ethanedial, dioxime, Glyoxaldioxime, Glyoxal dioxime, Glyoxal-dioxime, Pik-Off, Ethanedione dioxime, Dioxime ethanedial, Ethanedial dioxime, GLYOXAL, DIOXIME, Caswell No. 471AA, WLN: QNU2UNQ, CCRIS 7742, Cga-22911, EINECS 209-168-1, CGA-15281, NSC 18263, CGA 22,911, CGA-22911 10S, EPA Pesticide Chemical Code 425300

Molecular Formula:	C₂H₄N₂O₂	Molecular Weight:	88.065360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RUFIRPVAEJIIIS-OWOJBTEDSA-N

• Ramipril

IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid | CAS Registry Number: 87333-19-5
Synonyms: ramipril, Tritace, Altace, Carasel, Triatec, Ramace, Delix, Lostapres, Cardace, Pramace, Acovil, Hytren, Vesdil, Quark, Unipril, Ramiprilum [Latin], Altace (TN), Ramipril (USP/INN), Spectrum_001958, Hoe-498

Molecular Formula:	C₂₃H₃₂N₂O₅	Molecular Weight:	416.510580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HDACQVRGBOVJII-JBDAPHQKSA-N

• Ramoplanin

Synonyms: Antibiotic A 16686, Ramoplanin [USAN:INN], Ramoplanin (USAN/INN), C112H142ClN21O35, MDL 62,198, A 16686A, LS-143274, A 16686, D05696, Glycolipodepsi peptide antibiotic produced by actinoplanes species ATCC33076, Antibiotic A 16686, 2-(((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)amino)-, (SP-4-2)-, Glycolipodepsi peptide antibiotic produced by actinoplanes species ATCC33076. Ramoplanin is a complex antibiotic consisting of a main component designated as ramoplanin A2 and a small amount of related substances, ramoplanin A1, A'1, A'2, A3, and A'3

Molecular Formula:	C₁₀₆H₁₇₀ClN₂₁O₃₀	Molecular Weight:	2254.059700 [g/mol]
H-Bond Donor:	31	H-Bond Acceptor:	32

InChIKey: FSBZBQUUCNYWOK-YIOPJBSBSA-N

• Ramosetron hydrochloride

IUPAC Name: (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone hydrochloride | CAS Registry Number: 132907-72-3
Synonyms: Nasea, Ramosetron.HCl, Irribow, Nasea OD, Nasea (TN), CCRIS 7704, C17H17N3O.HCl, YM 060, Ramosetron hydrochloride (JAN), YM060, YM-060, CID107999, LS-91305, TL8000781, D02016, (R)-5-((1-Methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazole hydrochloride, (1-methyl-1H-indol-3-yl)[(5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methanone hydrochloride, 5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazol, Methanone, (1-methyl-1H-indol-3-yl)((5R)-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-, monohydrochloride, Methanone, (1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-, monohydrochloride, (R)-

Molecular Formula:	C₁₇H₁₈ClN₃O	Molecular Weight:	315.797320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XIXYTCLDXQRHJO-RFVHGSKJSA-N

• Rifaximin

Synonyms: Rifacol, Xifaxan, Normix, Fatroximin, Rifamixin, Rifaxidin, Ritacol, Xifaxsan, Flonorm, Lumenax, RedActiv, duplicate RN, Rifamycin L 105, Rifaximine [French], Rifaximinum [Latin], Rifaximina [Spanish], Xifaxsan (TN), Rifamycin L 105SV, Rifaximin [USAN:INN], Rifaximin (USAN/INN)

Molecular Formula:	C₄₃H₅₁N₃O₁₁	Molecular Weight:	785.878540 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: NZCRJKRKKOLAOJ-XRCRFVBUSA-N

• Rilmenidine

IUPAC Name: N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine | CAS Registry Number: 54187-04-1
Synonyms: Oxaminozoline, Rilmenidene, Rilmenidine [INN], Rilmenidia [Spanish], Rilmenidinum [Latin], nchembio.79-comp13, Tocris-0790, Lopac-R-134, Prestwick0_000982, Prestwick1_000982, Prestwick2_000982, Prestwick3_000982, R134_SIGMA, Rilmenidene hemifumarate salt, Rilmenidine hemifumarate salt, Lopac0_001104, BSPBio_001043, Oxaminozoline hemifumarate salt, RILMENIDINE HEMIFUMARATE, SPBio_002944

Molecular Formula:	C₁₀H₁₆N₂O	Molecular Weight:	180.246840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CQXADFVORZEARL-UHFFFAOYSA-N

• Risedronate Sodium

IUPAC Name: sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate | CAS Registry Number: 115436-72-1
Synonyms: Actonel, Risedronate sodium, Optinate, Acrel, Benet, Sodium risedronate, Optinate Septimum, Actonel (TN), Risedronate sodium [USAN], Risedronate sodium (USAN), C7H10NO7P2.Na, Risedronic acid monosodium salt, risedronic acid, monosodium salt, BB_SC-1157, CID68739, NE 58095, NE-58095, CID4194514, CPD000469279, SAM001246537

Molecular Formula:	C₇H₁₀NNaO₇P₂	Molecular Weight:	305.094092 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: DRFDPXKCEWYIAW-UHFFFAOYSA-M

• Ritonavir

IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate | CAS Registry Number: 155213-67-5
Synonyms: ritonavir, Norvir, Kaletra, Mixture Name, 1hxw, Ritonavir [USAN], Component of Kaletra, Norvir (TM), Norvir (TN), Abbott 84538, 1sh9, ABT-538, MLS000759541, MLS001424063, Ritonavir (JAN/USAN/INN), ABT538, STOCK6S-48483, HSDB 7160, C37H48N6O5S2, NSC693184

Molecular Formula:	C₃₇H₄₈N₆O₅S₂	Molecular Weight:	720.944220 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

• ROSIGLITAZONE HCL (CAS: 155141-29-8)

• Rosuvastatin calcium

IUPAC Name: calcium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147098-20-2
Synonyms: Crestor, Provisacor, Rosuvastatin, Crestor (TN), Rosuvastatin hemicalcium, ZD 4522, calcium salt, Rosuvastatin calcium [USAN], Rosuvastatin calcium (JAN/USAN), ZD 4522, ZD4522, ZD-4522, LS-181805, TL8006179, D01915, S 4522, S-4522, (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-

Molecular Formula:	C₄₄H₅₄CaF₂N₆O₁₂S₂	Molecular Weight:	1001.137366 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	20

InChIKey: LALFOYNTGMUKGG-BGRFNVSISA-L

• Roxithromycin

IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12S,13R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6,11,12-trihydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-9-(2-methoxyethoxymethoxyimino)-2,4,6,8,10,12-hexamethyl-14-oxacyclotetradecan-1-one | CAS Registry Number: 80214-83-1
Synonyms: roxithromycin, Rulide, Prestwick_1046, Roxithromycine [French], Roxithromycinum [Latin], Roxitromicina [Spanish], Prestwick2_000854, CCRIS 3461, Roxithromycin [USAN:INN:JAN], RU 965, AIDS208769, AIDS-208769, C41H76N2O15, BRN 4286925, RU-965, RU 28965, CID9567573, Roxithromycin plus Tumor Necrosis Factor, LS-64684, RU-28965

Molecular Formula:	C₄₁H₇₆N₂O₁₅	Molecular Weight:	837.046540 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: RXZBMPWDPOLZGW-KMAKEOJNSA-N

• Rutin

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 153-18-4
Synonyms: RUTIN, rutoside, Phytomelin, Sophorin, Birutan, Eldrin, Birutan Forte, Rutin trihydrate, Globularicitrin, Violaquercitrin, Bioflavonoid, Ilixanthin, Myrticolorin, Paliuroside, Troxerutin, Osyritrin, Oxyritin, Rutabion, Rutosido, Rutosidum

Molecular Formula:	C₂₇H₃₀O₁₆	Molecular Weight:	610.517500 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	16

InChIKey: IKGXIBQEEMLURG-NVPNHPEKSA-N

• Sibutramine Hcl

IUPAC Name: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine hydrochloride | CAS Registry Number: 84485-00-7
Synonyms: Meridia, SIBUTRAMINE HCl, Sibutramine hydrochloride, MLS001304007, SPECTRUM1505210, Sibutramine hydrochloride anhydrous, CID64764, BTS 54524, NCGC00092357-01, NCGC00095140-01, NCGC00095140-02, SMR000469163, TL8000653, 1-(4-Chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)cyclobutanemethanamine hydrochloride, 106650-56-0, Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)-, hydrochloride

Molecular Formula:	C₁₇H₂₇Cl₂N	Molecular Weight:	316.308980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: UWAOJIWUVCMBAZ-UHFFFAOYSA-N

• Simvastatin

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula:	C₂₅H₃₈O₅	Molecular Weight:	418.566220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sitagliptin

IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | CAS Registry Number: 486460-32-6
Synonyms: Sitagliptan, Sitagliptin phosphate, Januvia (merck & Co.), BSPBio_002262, CHEBI:40237, 1x70, MK-0431, CID4369359, DB01261, LS-187389, (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Molecular Formula:	C₁₆H₁₅F₆N₅O	Molecular Weight:	407.313619 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N

• Sodium 2-mercaptoethanesulfonate

IUPAC Name: sodium 2-sulfanylethanesulfonate | CAS Registry Number: 19767-45-4
Synonyms: mesna, Uromitexan, Mesnex, Mistabronco, Mistabron, Mucofluid, Mitexan, Mesnum, coenzyme M, Ifex/Mesnex Kit, Uromitexan (TN), Mesnum [INN-Latin], Mesnex (TN), Prestwick_1005, Ifosfamide/Mesna Kit, Mesna [USAN:BAN:INN], Spectrum2_000752, Spectrum3_001483, Spectrum4_000041, Spectrum5_001174

Molecular Formula:	C₂H₅NaO₃S₂	Molecular Weight:	164.179070 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

• Sodium etidronate

IUPAC Name: disodium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate | CAS Registry Number: 7414-83-7
Synonyms: Didronel, Diphos, Etidronate disodium, Didronel R, Sodium ethidronate, Sodium ethydronate, Disodium etidronate, Disodium ethydronate, Didronel (TN), Etidronic acid disodium, Prestwick_1061, Ambap796, Etidronsaeure dinatriumsalz, C3H8O6P2.2Na, Etidronic acid, disodium salt, Etidronate Disodium [USAN:JAN], Disodium ethanol-1,1-diphosphonate, EINECS 231-025-7, Etidronate disodium (JP15/USP), SM-5600

Molecular Formula:	C₂H₆Na₂O₇P₂	Molecular Weight:	249.991902 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: GWBBVOVXJZATQQ-UHFFFAOYSA-L

• Sorafenib tosylate

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid | CAS Registry Number: 475207-59-1
Synonyms: Nexavar, Xarelto, Sorafenib tosilate, Nexavar(R), Nexavar (TN), Sorafenib tosilate (JAN), Sorafenib tosylate (USAN), Sorafenib tosylate [USAN], BAY 43-9006 tosylate, NSC724772, CID406563, BAY 43-9006, BAY 54-9085, LS-186598, D06272, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate

Molecular Formula:	C₂₈H₂₄ClF₃N₄O₆S	Molecular Weight:	637.026570 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: IVDHYUQIDRJSTI-UHFFFAOYSA-N

• Sotalol Hcl

IUPAC Name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride | CAS Registry Number: 959-24-0
Synonyms: Betapace, Sotacor, Sotalex, Berlex, Sorine, Sotalol hydrochloride, Sotalol.HCl, Betapace AF, Mead johnson 1999, .beta.-Cardone, Sotalol HCL, Betapace (TN), Sorine (TN), Ambap2350, ( )-Sotalol hydrochloride, MJ 1999 hydrochloride, ()-Sotalol hydrochloride, Sotalol hydrochloride [USAN], (?)-Sotalol hydrochloride, C12H20N2O3S.HCl

Molecular Formula:	C₁₂H₂₁ClN₂O₃S	Molecular Weight:	308.824740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: VIDRYROWYFWGSY-UHFFFAOYSA-N

• Stavudine

IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3056-17-5
Synonyms: stavudine, sanilvudine, Zerit, ddeThd, ddeTyd, Zent, Zerut XR, D 4T (nucleoside), Stavudinum [INN-Latin], Sanilvudine (JAN), Dideoxydidehydrothymidine, Estavudina [INN-Spanish], Zerit (TN), 2',3'-Didehydro-3'-deoxythymidine, Stavudine (USAN/INN), 2',3'-Anhydrothymidine, Stavudine [USAN:BAN:INN], 3'-Deoxy-2'-thymidinene, 2'-Thymidinene, 3'-deoxy-, D 4T

Molecular Formula:	C₁₀H₁₂N₂O₄	Molecular Weight:	224.213280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N

• Sulbactam sodium

IUPAC Name: sodium 3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 69388-84-7
Synonyms: Unasyn, Sodium sulbactam, Sulbactam natrium, Mixture Name, SULBACTAM SODIUM, Sulbactam sodium salt, CP 45899 sodium salt, Sodium 1,1-dioxopenicillanate, C8H10NO5S.Na, Sulbactam sodium [USAN:JAN], Sodium penicillanate 1,1-dioxide, AMPICILLIN AND SULBACTAM, EINECS 273-984-4, Penicillanic acid dioxide sodium salt, Penicillanic acid sulfone sodium salt, Penicillanic acid 1,1-dioxide sodium salt, CP 45899-2, LS-149816, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, sodium salt, (2S-cis)-, Sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide

Molecular Formula:	C₈H₁₀NNaO₅S	Molecular Weight:	255.223470 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: NKZMPZCWBSWAOX-UHFFFAOYSA-M

• Sulfadimethoxine

IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide | CAS Registry Number: 122-11-2
Synonyms: sulfadimethoxine, Agribon, Abcid, Sulfadimethoxin, Sulfadimetoxin, Arnosulfan, Dimetazina, Neostrepal, Theracanzan, Bactrovet, Diasulfa, Diasulfyl, Madribon, Madrigid, Madriqid, Madroxin, Madroxine, Maxulvet, Memcozine, Metoxidon

Molecular Formula:	C₁₂H₁₄N₄O₄S	Molecular Weight:	310.328960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: ZZORFUFYDOWNEF-UHFFFAOYSA-N

• Sulfamethazine

IUPAC Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide | CAS Registry Number: 57-68-1
Synonyms: sulfamethazine, Sulfadimidine, Sulphamezathine, Sulfadimezine, Sulfamezathine, Cremomethazine, Sulfadimerazine, Sulfadimesine, Sulfamethiazine, Sulfodimezine, Sulphadimidine, Sulphamethasine, Sulphamethazine, Sulphodimezine, Azolmetazin, Dimezathine, Kelametazine, Sulfadimesin, Sulfadimezin, Sulfadimidin

Molecular Formula:	C₁₂H₁₄N₄O₂S	Molecular Weight:	278.330160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ASWVTGNCAZCNNR-UHFFFAOYSA-N

• Sulfasalazine

IUPAC Name: (3Z)-6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 599-79-1
Synonyms: sulfasalazine, Azulfidine, Salicylazosulfapyridine, Salazosulfapyridine, Azulfidine (TN), Prestwick_848, Sulphasalazine, N-, 13gs, Sulfasalazine (USP/INN), Salazosulfapyridine (JP15), NCGC00016518-01, NCGC00090903-01, NCGC00090903-02, NCGC00090903-03, NCGC00090903-04, NCGC00090903-05, CAS-599-79-1, C07316, D00448, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID

Molecular Formula:	C₁₈H₁₄N₄O₅S	Molecular Weight:	398.392560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: OQANPHBRHBJGNZ-BKUYFWCQSA-N

• Sunitinib Malate

IUPAC Name: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid | CAS Registry Number: 341031-54-7
Synonyms: Sunitinib malate, Sutent, Sutent (TN), Sunitinib malate [USAN], SU011248 L-malate salt, SU-11248 L-malate salt, PHA-290940AD, Sunitinib malate (JAN/USAN), SU-011248 L-malate salt, PNU-290940AD, SU010398, CID6456015, SU 011248, SU011248, LS-186078, SU-010398, TL8002546, D06402, Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1), 1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1)

Molecular Formula:	C₂₆H₃₃FN₄O₇	Molecular Weight:	532.561223 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: LBWFXVZLPYTWQI-IPOVEDGCSA-N

• Suprofen

IUPAC Name: 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid | CAS Registry Number: 40828-46-4
Synonyms: suprofen, Profenal, Maldocil, Suprol, Sutoprofen, Masterfen, Suprocil, Profenal (TN), Prestwick_131, Suprofene [INN-French], Suprofenum [INN-Latin], p-2-Thenoylhydratropic acid, Spectrum_001157, Prestwick0_000816, Prestwick1_000816, Prestwick2_000816, Prestwick3_000816, Spectrum2_001430, Spectrum3_000928, Spectrum4_001027

Molecular Formula:	C₁₄H₁₂O₃S	Molecular Weight:	260.308280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MDKGKXOCJGEUJW-UHFFFAOYSA-N

• Tasosartan

IUPAC Name: 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one | CAS Registry Number: 145733-36-4
Synonyms: TASOSARTAN, Verdia, Tasosartan (USAN/INN), Tasosartan [USAN:INN], WAY-ANA-756, ANA-756, CID60919, DB01349, WAY-126756, D06010, 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[6,5-d]pyrimidin-7-one, 5,8-Dihydro-2,4-dimethyl-8-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)pyrido(2,3-d)pyrimidin-7(6H)-one, Pyrido(2,3-d)pyrimidin-7(6H)-one, 5,8-dihydro-2,4-dimethyl-8-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-

Molecular Formula:	C₂₃H₂₁N₇O	Molecular Weight:	411.459140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: ADXGNEYLLLSOAR-UHFFFAOYSA-N

• Tazobactam

IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 89786-04-9
Synonyms: YTR830H, Tazobactam (JAN/USAN/INN), AIDS010826, AIDS-010826, CID123630, CL298741, 89785-84-2 (SODIUM SALT), C07771, D00660, TAZ, (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2S,3S,5R)-

Molecular Formula:	C₁₀H₁₂N₄O₅S	Molecular Weight:	300.291080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: LPQZKKCYTLCDGQ-WEDXCCLWSA-N

• Tegafur

IUPAC Name: 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione | CAS Registry Number: 17902-23-7
Synonyms: Ftorafur, tegafur, Fluorofur, Futraful, Citofur, Sinoflurol, Neberk, Furofutran, Coparogin, Florafur, Franroze, Furafluor, Furflucil, Nitobanil, Fulfeel, Sunfral, Exonal, Fental, Lifril, Lamar

Molecular Formula:	C₈H₉FN₂O₃	Molecular Weight:	200.167063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-N

• Teicoplanin

Synonyms: Teichomycin A2, Teicoplanin A 2, Teicoplanin A 2 (9CI), LS-148650

Molecular Formula:	C₉₀H₉₉Cl₂N₉O₃₄	Molecular Weight:	1921.694960 [g/mol]
H-Bond Donor:	24	H-Bond Acceptor:	35

InChIKey: LCTCUBQFWLTHNS-MDZDMXLPSA-N

• Temozolomide

IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula:	C₆H₆N₆O₂	Molecular Weight:	194.150840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Tenofovir Disoproxil Fumarate

IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate; (E)-but-2-enedioic acid | CAS Registry Number: 202138-50-9
Synonyms: Viread, Tenofovir DF, Truvada, PMPA prodrug, Mixture Name, Viread (TN), Bis(POC)PMPA, HSDB 7165, Tenofovir Disoproxil Fumarate [USAN], C19H30N5O10P.C4H4O4, GS-US-104-0321, GS 4331-05, Tenofovir disoproxil fumarate (JAN/USAN), LS-173814, GS-4331-05, D01982, 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine, fumarate, TDF, 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine,fumarate, (R)-5-((2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis(1-methylethyl) ester, 5-oxide, (E)-2-butenedioate (1:1)

Molecular Formula:	C₂₃H₃₄N₅O₁₄P	Molecular Weight:	635.514921 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	19

InChIKey: VCMJCVGFSROFHV-WZGZYPNHSA-N

• Terazosin hydrochloride dihydrate

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone dihydrate hydrochloride | CAS Registry Number: 70024-40-7
Synonyms: Magnurol, Dysalfa, Flotrin, Heitrin, Hytrine, Hytrin, Urodie, Hydracin, Hytrinex, Teraprost, Unoprost, Isontyn, Sinalfa, Teralfa, Adecur, Deflox, Hitrin, Uroflo, Vicard, Itrin

Molecular Formula:	C₁₉H₃₀ClN₅O₆	Molecular Weight:	459.924400 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: NZMOFYDMGFQZLS-UHFFFAOYSA-N

• Terbinafine

IUPAC Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine | CAS Registry Number: 91161-71-6
Synonyms: terbinafine, Lamasil, Lamisil, Lamisil Tablet, Lamisil AT, Lamasil (TN), Terbinafine hydrochloride, Terbinafine (USAN/INN), Terbinafine [USAN:BAN:INN], C21H25N, AIDS017397, BB_SC-1130, AIDS-017397, BRN 4256376, Terbinafine, SF-86-327, Lamisil, CID1549008, SF-86-327, NCGC00159346-02, NCGC00159346-03, LS-94722

Molecular Formula:	C₂₁H₂₅N	Molecular Weight:	291.429900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DOMXUEMWDBAQBQ-WEVVVXLNSA-N

• Terbinafine hydrochloride

IUPAC Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride | CAS Registry Number: 78628-80-5
Synonyms: Lamisil, Terbinafine HCl, Lamisil Krem, Terbisil, Afogan, Daskil, Lamisil AT, TerbiFoam, InnoNyx, Terbinafinum [Latin], Terbinafina [Spanish], Lamisil (TN), Ambap2235, SF 86-327 hydrochloride, C21H25N.HCl, MLS001066620, MLS001304037, MLS001401424, DRG-0286, Terbinafine hydrochloride (JAN)

Molecular Formula:	C₂₁H₂₆ClN	Molecular Weight:	327.890840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BWMISRWJRUSYEX-SZKNIZGXSA-N

• Thiamphenicol

IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide | CAS Registry Number: 15318-45-3
Synonyms: thiamphenicol, Thiocymetin, Dexawin, Raceophenidol, Thiophenicol, Macphenicol, Urfamicina, Urfamycine, Descocin, Masatirin, Neomyson, Thiamcol, Urophenyl, Efnicol, Hyrazin, Igralin, Rincrol, D-Thiophenicol, D-Thiocymetin, Dextrosulphenidol

Molecular Formula:	C₁₂H₁₅Cl₂NO₅S	Molecular Weight:	356.222200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OTVAEFIXJLOWRX-NXEZZACHSA-N

• Thio-TEPA

IUPAC Name: tris(aziridin-1-yl)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 52-24-4
Synonyms: thiotepa, Thiophosphamide, Tiofosfamid, Thiofozil, Tespamin, Tiofosyl, Tiofozil, Oncotiotepa, Tespamine, Girostan, Oncotepa, Thiotef, Tifosyl, Stepa, Oncothio-tepa, Ledertepa, Tio-tef, Thio-Tep, THIO-TEPA, Thioplex

Molecular Formula:	C₆H₁₂N₃PS	Molecular Weight:	189.218341 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FOCVUCIESVLUNU-UHFFFAOYSA-N

• Tigecycline

IUPAC Name: N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-2-(tert-butylamino)acetamide | CAS Registry Number: 220620-09-7
Synonyms: Tygacil, Tigilcycline, Tygacil(TM), Tigecycline[USAN], Tygacil (TN), WAY-GAR-936, Tigecycline [USAN], TBG-MINO, Tigecycline (JAN/USAN), GAR 936, GAR-936, 9-t-Butylglycylamido minocycline, AIDS094224, AIDS-094224, DB00560, LS-186580, LS-187002, LS-187782, C12012, D01079

Molecular Formula:	C₂₉H₃₉N₅O₈	Molecular Weight:	585.648660 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	12

InChIKey: ZXGBRIBPJBHLMO-SBMFAFPZSA-N

• Tobramycin

IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol | CAS Registry Number: 32986-56-4
Synonyms: tobramycin, Tobrex, Tobracin, Tenebrimycin, Tobramitsetin, Tobramycetin, Brulamycin, Gotabiotic, Tobradistin, Tobramaxin, Tobramicin, Tenemycin, Tobradex, Tobralex, Tobrased, Tobrasone, Tobacin, Nebramycin 6, 1-Epitobramycin, Deoxykanamycin B

Molecular Formula:	C₁₈H₃₇N₅O₉	Molecular Weight:	467.514480 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	14

InChIKey: NLVFBUXFDBBNBW-PBSUHMDJSA-N