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Profile: Biotrend Chemicals AG supplies complex organic chemicals for biomedical research. Our products are used in biotechnology based corporations, pharmaceutical and diagnostic companies, hospitals, universities and research institutions. We also provide conjugation service, custom antibody production, custom antibody production packages and custom labeling services.

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• Gonadorelin

IUPAC Name: N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 33515-09-2
Synonyms: Gonadoliberin, Dirigestran, Fertagyl, Hypocrine, Luliberin, Lutrefact, Relefact, Luforan, Lutamin, Lutal, Relisorm l, GnRH, Luteostimulin, Mammalian GnRH, Cystorelin, GONADORELIN, Kryptocur, Nialutin, Synthetic LRF, Factrel

Molecular Formula:	C₅₅H₇₅N₁₇O₁₃	Molecular Weight:	1182.290100 [g/mol]
H-Bond Donor:	16	H-Bond Acceptor:	19

InChIKey: XLXSAKCOAKORKW-UHFFFAOYSA-N

• Gossypol

IUPAC Name: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde | CAS Registry Number: 303-45-7
Synonyms: gossypol, racemic-Gossypol, (+)-Gossypol, (-)-Gossypol, Pogosin, Tash 1, (+-)-Gossypol, (R)-Gossypol, (+/-)-Gossypol, nchembio875-comp1, Prestwick_1031, Gossypol Sodium Salt, Sodium Salt, Gossypol, Spectrum_000359, Spectrum_001521, Tocris-1964, (R)-(-)-Gossypol, SpecPlus_000602, Gossypol, (+)-Isomer, Gossypol, (-)-Isomer

Molecular Formula:	C₃₀H₃₀O₈	Molecular Weight:	518.554400 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

• Granisetron hydrochloride

IUPAC Name: 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide hydrochloride | CAS Registry Number: 107007-99-8
Synonyms: Kytril, Kytril Injection, Granisetron HCl, Granisetron hydrochloride [USAN], BRL 43694A, C19H27NO3, NSC672814, LS-81436, 1-Methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide monohydrochloride, 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-, monohydrochloride, endo-, endo-1-Methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-1H-indazole-3-carboxamide hydrochloride, 109889-09-0, 1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-,monohydrochloride, endo-

Molecular Formula:	C₁₈H₂₅ClN₄O	Molecular Weight:	348.870300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QYZRTBKYBJRGJB-UHFFFAOYSA-N

• Griseofulvin

IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione | CAS Registry Number: 126-07-8
Synonyms: griseofulvin, Fulvicin, Amudane, Delmofulvina, Griscofulvin, Griseofulvinum, Grizeofulvin, Fulvistatin, Grisefuline, Grisofulvin, Spirofulvin, Fulvinil, Fungivin, Gresfeed, Grifulin, Grifulvin, Grisactin, Griseomix, Grisetin, Grisovin

Molecular Formula:	C₁₇H₁₇ClO₆	Molecular Weight:	352.766280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: DDUHZTYCFQRHIY-RBHXEPJQSA-N

• Guanfacine hydrochloride

IUPAC Name: N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide hydrochloride | CAS Registry Number: 29110-48-3
Synonyms: Tenex, Estulic, guanfacine hydrochloride, Connexyn, Intuniv, GUANFACINE HCL, Prestwick_740, GUANFACINE, Tenex (TN), C9H9Cl2N3O.HCl, UNII-PML56A160O, MLS000069745, MLS001077329, MLS002222252, LON 798, EINECS 249-443-3, SPD-503, MolPort-003-666-686, 29110-47-2 (Parent), CID71401

Molecular Formula:	C₉H₁₀Cl₃N₃O	Molecular Weight:	282.554200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: DGFYECXYGUIODH-UHFFFAOYSA-N

• GW 501516

IUPAC Name: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid | CAS Registry Number: 317318-70-0
Synonyms: GSK-516, GW-516, PDSP1_000255, PDSP2_000254, GW501516, GW-501516, LS-193006, {2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid, Acetic acid, (2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)methyl)thio)phenoxy)-

Molecular Formula:	C₂₁H₁₈F₃NO₃S₂	Molecular Weight:	453.497730 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: YDBLKRPLXZNVNB-UHFFFAOYSA-N

• GW7647

IUPAC Name: 2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methylpropanoate | CAS Registry Number: 265129-71-3
Synonyms: ZINC03995991

Molecular Formula:	C₂₉H₄₅N₂O₃S-	Molecular Weight:	501.744200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PKNYXWMTHFMHKD-UHFFFAOYSA-M

• HA14-1

IUPAC Name: ethyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate | CAS Registry Number: 65673-63-4
Synonyms: Maybridge1_000786, ZINC01036313, CID6976314

Molecular Formula:	C₁₇H₁₇BrN₂O₅	Molecular Weight:	409.231280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: SXJDCULZDFWMJC-AAEUAGOBSA-N

• Haloperidol

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 52-86-8
Synonyms: haloperidol, Haldol, Aloperidol, Eukystol, Aloperidin, Aloperidolo, Galoperidol, Halopoidol, Serenelfi, Brotopon, Serenace, Halojust, Serenase, Ulcolind, Uliolind, Vesalium, Halopal, Mixidol, Linton, Pernox

Molecular Formula:	C₂₁H₂₃ClFNO₂	Molecular Weight:	375.864223 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

• Harmane

IUPAC Name: 1-methyl-9H-pyrido[3,4-b]indole | CAS Registry Number: 486-84-0
Synonyms: Harman, Aribine, Aribin, Passiflorin, Locuturin, Locuturine, Loturine, HARMANE, 1-Methylnorharman, 3-Methyl-4-carboline, 2-Methyl-beta-carboline, 1-Methyl-9H-beta-carboline, Spectrum_001126, Tocris-1132, SpecPlus_000609, Prestwick0_000620, Prestwick1_000620, Prestwick2_000620, Prestwick3_000620, Spectrum3_000905

Molecular Formula:	C₁₂H₁₀N₂	Molecular Weight:	182.221200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PSFDQSOCUJVVGF-UHFFFAOYSA-N

• Harpagoside

IUPAC Name: [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate | CAS Registry Number: 19210-12-9
Synonyms: Ambap1876, Prestwick3_000988, BSPBio_001055, MLS002154086, BPBio1_001161, MEGxp0_000469, ACon0_000056, ACon1_000134, EINECS 242-881-6, LMPR01020111, CID5281542, NCGC00179325-01, NCGC00179325-02, SMR001233395, AB00513986, C09783, (1S-(1alpha,4aalpha,5alpha,7alpha(E),7aalpha))-1,4a,5,6,7,7a-Hexahydro-4a,5-dihydroxy-7-methyl-7-((allyl-1-oxo-3-phenyl)oxy)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside

Molecular Formula:	C₂₄H₃₀O₁₁	Molecular Weight:	494.488400 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: KVRQGMOSZKPBNS-FMHLWDFHSA-N

• Hexarelin

IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide | CAS Registry Number: 140703-51-1
Synonyms: UNII-09QF37C617, CHEBI:472744, CID5464109, LS-191993, L-Lysinamide, L-histidyl-2-methyl-D-tryptophyl-L-alanyl-L-tryptophyl-D-phenylalanyl-

Molecular Formula:	C₄₇H₅₈N₁₂O₆	Molecular Weight:	887.040220 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	9

InChIKey: RVWNMGKSNGWLOL-RJVQSILISA-N

• Histamine

IUPAC Name: (2R)-1-(1H-imidazol-5-yl)propan-2-amine | CAS Registry Number: 75614-87-8
Synonyms: Alpha Methylhistamine, Tocris-0569, (R)-alpha-Methylhistamine, Lopac0_000618, C6H11N3, alpha-methylhistamine, (R)-isomer, PDSP1_000535, PDSP1_000541, PDSP1_000542, PDSP2_000507, PDSP2_000533, PDSP2_000539, NCGC00024656-01, NCGC00024656-02, NCGC00024656-03, LS-177199, LS-191796, 1H-Imidazole-4-ethanamine, alpha-methyl-, (alphaR)-, Histamine, R(-)-alpha-methyl-, dihydrochloride

Molecular Formula:	C₆H₁₁N₃	Molecular Weight:	125.171640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XNQIOISZPFVUFG-RXMQYKEDSA-N

• Homatropine Hydrobromide

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate hydrobromide | CAS Registry Number: 51-56-9
Synonyms: Isopto Homatropine, Prestwick_261, Ambap360, Isopto Homatropine (TN), Homatropine hydrobromide (R,S), MLS002154189, HOMATROPINE HYDROBROMIDE, Homatropine hydrobromide (JP15/USP), SMR001233480, D01004

Molecular Formula:	C₁₆H₂₂BrNO₃	Molecular Weight:	356.254780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DWSGTFTVBLXELC-MOTQWOLNSA-N

• Homoharringtonine

Synonyms: homoharringtonine, Cephalotaxus alkaloid, Homoharringtonine (8CI), C29H39NO9, AIDS003025, NSC 141633, AIDS-003025, BRN 5687925, HSCI1_000363, NSC141633, LS-52751, Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) (9CI), Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))-, Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))- (9CI)

Molecular Formula:	C₂₉H₃₉NO₉	Molecular Weight:	545.621260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: HYFHYPWGAURHIV-ZEDNPHJLSA-N

• Honokiol

IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol | CAS Registry Number: 35354-74-6
Synonyms: nchembio.140-comp3, MLS000759481, MLS001048916, MLS001423980, H4914_SIGMA, 3,5'-Diallyl-4,2'-dihydroxybiphenyl, AIDS002243, BB_NC-1461, 3',5-Diallylbiphenyl-2,4'-diol, NSC 293100, AIDS-002243, C18H18O2, CID72303, NSC293100, ZINC00001536, 5,3'-Diallyl-2,4'-dihydroxybiphenyl, SMP2_000040, NCGC00163567-01, NCGC00163567-02, CPD000387107

Molecular Formula:	C₁₈H₁₈O₂	Molecular Weight:	266.334320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

• Human growth hormone-releasing factor

Synonyms: Somatoliberin, Somatocrinin, GRF-(1-44) amide, Growth hormone releasing factor, Somatotropin releasing hormone, Growth hormone-releasing factor, Growth hormone-releasing hormone, Somatotropin-releasing factor 44, Growth hormone-releasing factor 44, SOMATOTROPIN-RELEASING HORMONE, 9034-39-3

Molecular Formula:	C₂₁₅H₃₅₈N₇₂O₆₆S	Molecular Weight:	5039.650820 [g/mol]
H-Bond Donor:	83	H-Bond Acceptor:	87

InChIKey: JAHCMOSSKRAPEL-UHFFFAOYSA-N

• Hydralazine hydrochloride

IUPAC Name: phthalazin-1-ylhydrazine hydrochloride | CAS Registry Number: 304-20-1
Synonyms: Aiselazine, Apresoline, Hyperazin, Dralzine, Hyperex, Lopress, Slow-Apresolin, Apresazide, Apresine, Rolazine, Unipres, BiDil, Hydralazine chloride, Apresoline-esidrix, Mixture Name, HYDRALAZINE HYDROCHLORIDE, Ser-Ap-Es, Nor-press 25, Apresoline (TN), Apresoline hydrochloride

Molecular Formula:	C₈H₉ClN₄	Molecular Weight:	196.636860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: ZUXNZUWOTSUBMN-UHFFFAOYSA-N

• Hydrochlorothiazide

IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide | CAS Registry Number: 58-93-5
Synonyms: hydrochlorothiazide, Esidrix, Hypothiazide, Esidrex, Oretic, Dichlotiazid, Hidrotiazida, Hydrodiuretic, Hydrosaluric, Servithiazid, Dichlotride, Diclotride, Hypothiazid, Idrotiazide, Megadiuril, Aquarills, Disalunil, Newtolide, Thiuretic, Aquarius

Molecular Formula:	C₇H₈ClN₃O₄S₂	Molecular Weight:	297.739120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

• Hydroxypropyl beta-Cyclodextrin

Synonyms: Hydroxypropyl-beta-cyclodextrin, 2-Hydroxypropy-.beta.-cyclodextrin, 2-Hydroxypropylether-b-cyclodextrin, HYDROXYPROPYL beta-CYCLODEXTRIN, AKOS015901120, tetrakis(1 propanol); @cyclo-hepta-amylose, 128446-35-5, A19428, I14-15164

Molecular Formula:	C₅₄H₁₀₂O₃₉	Molecular Weight:	1375.364280 [g/mol]
H-Bond Donor:	25	H-Bond Acceptor:	39

InChIKey: BZRWCHBEBFPRGF-UHFFFAOYSA-N

• Hyoscine n-butylbromide

Synonyms: Buscopan, Buscopan (TN), scopolamine butylbromide, Butylscopolamine bromide, Scopolamine butylbromide (JP15), D01451

Molecular Formula:	C₂₁H₃₀BrNO₄	Molecular Weight:	440.371200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HOZOZZFCZRXYEK-OXDSVUBJSA-M

• Hyoscyamine hydrobromide

IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate hydrobromide | CAS Registry Number: 306-03-6
Synonyms: HYOSCYAMINE HYDROBROMIDE, Hyoscyamine hydrobromide (USP), CID9929278, D04479

Molecular Formula:	C₁₇H₂₄BrNO₃	Molecular Weight:	370.281360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VZDNSFSBCMCXSK-BXSBZORQSA-N

• Hypericin

Synonyms: hypericin, Hypericum red, Cyclosan, hipericina, hypericine, Cyclo-Werol, Hyperizin, Cyclo werrol, Hypericum Extract, VIMRxyn, Ambap348, BiomolKI_000032, Hypericin & Visible light, BiomolKI2_000040, mono-(123I)iodohypericin, NSC407313, CHEBI:5835, 56690_FLUKA, EINECS 208-941-0, NSC622946

Molecular Formula:	C₃₀H₁₆O₈	Molecular Weight:	504.443240 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: BTXNYTINYBABQR-UHFFFAOYSA-N

• α-MSH

Synonyms: ALPHA-MSH, alpha-Melanotropin (ox), alpha-Melanotropin (pig), alpha-Melanotropin (human), alpha-Melanotropin (swine), alpha-Melanotropin (Macaca nemestrina), alpha-Melanotropin I (Oncorhynchus keta), LS-187036, LS-187653, alpha-1-13-Corticotropin, N-acetyl-13-L-valinamide-, 17107-62-9, 4353-59-7

Molecular Formula:	C₇₇H₁₀₉N₂₁O₁₉S	Molecular Weight:	1664.883660 [g/mol]
H-Bond Donor:	23	H-Bond Acceptor:	26

InChIKey: WHNFPRLDDSXQCL-PDEGJNOBSA-N

• β-Alanine

IUPAC Name: 3-aminopropanoic acid | CAS Registry Number: 107-95-9
Synonyms: beta-alanine, Abufene, 3-Aminopropanoic acid, .beta.-Alanine, Alanine, beta-, 3-Aminopropanoate, beta-Ala, 2-Carboxyethylamine, 3-Aminopropionic acid, 3-Aminopropionsaeure, Beta Alanine, beta-Aminopropionic acid, beta-Aminopropionsaeure, Propanoic acid, 3-amino-, Abufene (TN), .beta.-Aminopropionic acid, omega-Aminopropionic acid, B-ALANINE, ALANINE, BETA, Tocris-0206

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UCMIRNVEIXFBKS-UHFFFAOYSA-N

• γ-Aminobutyric acid

IUPAC Name: 4-aminobutanoic acid | CAS Registry Number: 56-12-2
Synonyms: 4-Aminobutanoic acid, 4-aminobutyric acid, Piperidic acid, Gammalon, Piperidinic acid, GABA, Gammalone, Mielomade, Aminalon, Gaballon, Gammasol, Mielogen, Gamarex, Gammar, gamma-aminobutyric acid, Reanal, 4-aminobutyrate, 4-aminobutanoate, Gamastan, Gammagee

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

• Ibudilast

IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one | CAS Registry Number: 50847-11-5
Synonyms: ibudilast, Ketas, Eyevinal, Ke Tas, Ibudilastum [Latin], Ibudilast [INN:JAN], Ketas (TN), Tocris-1694, Ibudilast (JAN/INN), Lopac-I-0157, KC-404, Lopac0_000599, MLS000862198, I0157_SIGMA, KC 404, C14H18N2O, BB_SC-5079, BRN 0656579, AV-411, MN-166

Molecular Formula:	C₁₄H₁₈N₂O	Molecular Weight:	230.305520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-N

• Ibuprofen

IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 15687-27-1
Synonyms: ibuprofen, Motrin, Brufen, Andran, Liptan, Nuprin, Advil, Butylenin, Ibuprocin, Anflagen, Buburone, Ibumetin, Medipren, Nobfelon, Lamidon, Pantrop, Rebugen, Dolgit, Ebufac, Rufen

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N

• ICI 63197

IUPAC Name: 2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one | CAS Registry Number: 27277-00-5
Synonyms: Caswell No. 033E, Tocris-1816, Ici 63197, I8283_SIGMA, EINECS 248-383-5, PP 769, CID62824, ICI-63197, PDSP1_001286, PDSP2_001270, ZINC01849697, ICI 63,197, NCGC00025306-01, NCGC00025306-02, LS-184726, BRD-K52219182-001-01-6, (1,2,4)Triazolo(1,5-a)pyrimidin-5(4H)-one, 2-amino-6-methyl-4-propyl-, 2-Amino-4,5-dihydro-6-methyl-4-propyl-5-triazolo-(1,5-c)-pyramidin-5-one, 2-Amino-4,5-dihydro-6-methyl-4-propyl-s-triazolo-(1,5-A)-pyrimidin-5-one, 2-Amino-6-methyl-5-oxo-4n-propyl-4,5-dihydro-s-triazolo(1,5-a)pyrimidine

Molecular Formula:	C₉H₁₃N₅O	Molecular Weight:	207.232420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UQDVRVNMIJAGRK-UHFFFAOYSA-N

• Idazoxan hydrochloride

IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole hydrochloride | CAS Registry Number: 79944-56-2
Synonyms: IDAZOXAN, IDAZOXAN HYDROCHLORIDE, MLS000069708, MLS001148081, I6138_SIGMA, NCGC00094015-01, NCGC00094015-02, LS-78425, SMR000058458, RX 781094, RX-781094, EU-0100652, ()-2-[1,4-Benzodioxan-2-yl]-2-imidazoline hydrochloride, 1H-Imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-, monohydrochloride, 1H-Imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-,monohydrochloride, 90755-83-2

Molecular Formula:	C₁₁H₁₃ClN₂O₂	Molecular Weight:	240.686120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MYUBYOVCLMEAOH-UHFFFAOYSA-N

• Idebenone

IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 58186-27-9
Synonyms: idebenone, Cerestabon, Sovrima, Catena, Mnesis, Avan, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], Idebenone (JAN/INN), SNT-MC17, MLS000759487, MLS001424002, QSA-10, BB_NC-1322, C19H30O5, CV 2619, CV-2619, BRN 2001459, ZINC01542890

Molecular Formula:	C₁₉H₃₀O₅	Molecular Weight:	338.438500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

• Ifenprodil

IUPAC Name: 4-[1-hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol | CAS Registry Number: 23210-56-2
Synonyms: Angiotrofin, Creocral, Vadilex, Dilvax, ifenprodil tartrate, nchembio873-comp9, Ifenprodilum [INN-Latin], Ifenprodil [DCF:INN], Ifenprodil [INN:DCF], C21H27NO2, EINECS 245-491-4, PDSP1_000654, PDSP2_000646, RC 61-91, NCGC00024643-02, NCGC00024643-03, NCGC00024643-04, NCGC00024643-05, 61 91 RC, LS-115339

Molecular Formula:	C₂₁H₂₇NO₂	Molecular Weight:	325.444580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UYNVMODNBIQBMV-UHFFFAOYSA-N

• Imipramine hydrochloride

IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 113-52-0
Synonyms: Tofranil, Chimoreptin, Feinalmin, Imilanyle, Persamine, Pertofram, Presamine, Pryleugan, Tofranile, Janimine, Teperine, Imizine, Iprogen, Imizin, Psicopramine, Imipramini, Melipramine, Psychoforin, Thymopramin, Chrytemin

Molecular Formula:	C₁₉H₂₅ClN₂	Molecular Weight:	316.868200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XZZXIYZZBJDEEP-UHFFFAOYSA-N

• Immepip dihydrobromide

IUPAC Name: 4-(1H-imidazol-5-ylmethyl)piperidin-1-ium | CAS Registry Number: 164391-47-3
Synonyms: ZINC00005777

Molecular Formula:	C₉H₁₆N₃+	Molecular Weight:	166.243440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: MCNGUYXRBCIGOV-UHFFFAOYSA-O

• Indomethacin

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid | CAS Registry Number: 53-86-1
Synonyms: indomethacin, indometacin, Indocin, Indometacine, Indomethacinum, Indomethazine, Imbrilon, Metindol, Tannex, Indomethacine, Artrinovo, Confortid, Idomethine, Indomecol, Metartril, Methazine, Mikametan, Reumacide, Artracin, Artrivia

Molecular Formula:	C₁₉H₁₆ClNO₄	Molecular Weight:	357.787640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CGIGDMFJXJATDK-UHFFFAOYSA-N

• Ionomycin calcium

IUPAC Name: calcium 19,21-dihydroxy-22-[5-[5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate | CAS Registry Number: 56092-82-1
Synonyms: ionomycin

Molecular Formula:	C₄₁H₇₀CaO₉	Molecular Weight:	747.067100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: WKRWUYKLUMMAKG-UHFFFAOYSA-L

• Ipratropium Bromide

IUPAC Name: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide | CAS Registry Number: 22254-24-6
Synonyms: ipratropium bromide, Prestwick_279, Ipratropium bromide anhydrous, MLS000069557, CHEBI:46659, SMR000058764, (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide

Molecular Formula:	C₂₀H₃₀BrNO₃	Molecular Weight:	412.361100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LHLMOSXCXGLMMN-CLTUNHJMSA-M

• Iso-H7 dihydrochloride

IUPAC Name: 5-(3-methylpiperazin-1-yl)sulfonylisoquinoline dihydrochloride | CAS Registry Number: 140663-38-3
Synonyms: Iso-H-7, Iso-H-7, Dihydrochloride, ISO-H7, I6391_SIGMA, IN1301, CID11957580, EU-0100662, NCGC00094024-01, 1-(5-isoquinolinesulfonyl)-3-methylpiperazine, 1-(5-Isoquinolinesulfonyl)-3-methylpiperazine, 2HCl, 1-(5-Isoquinolinylsulfonyl)-3-methylpiperazine dihydrochloride

Molecular Formula:	C₁₄H₁₉Cl₂N₃O₂S	Molecular Weight:	364.290560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: YHYNDFTUZMEYNX-UHFFFAOYSA-N

• Isoconazole nitrate

IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid | CAS Registry Number: 24168-96-5
Synonyms: isoconazole nitrate, Travogen, Travogyn, Fazol, Adestan-G, Adestan G100, Adestan-G (TN), Isoconazole nitrate (JAN), C18H14Cl4N2O.HNO3, EINECS 246-051-4, LS-78380, D01480, R 15,454, R-15454, 1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate, 1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate, 1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole mononitrate, 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-, mononitrate, Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, mononitrate, 27523-40-6

Molecular Formula:	C₁₈H₁₅Cl₄N₃O₄	Molecular Weight:	479.141400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: NNGQLSIGRSTLLU-UHFFFAOYSA-N

• Isoprenaline hydrochloride

IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride | CAS Registry Number: 51-30-9
Synonyms: Isuprel, Saventrine, Aerolone, Aerotrol, Euspiran, Isadrine, Proternol, Asthpul, Izadrin, Duo-Medihaler, Isomenyl, Iprenol, Vapo-Iso, Isoproterenol HCl, Mixture Name, Proternol-S, Aerolone Solution, Isoprenaline chloride, Isuprel hydrochloride, dl-Isadrine hydrochloride

Molecular Formula:	C₁₁H₁₈ClNO₃	Molecular Weight:	247.718520 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	4

InChIKey: IROWCYIEJAOFOW-UHFFFAOYSA-N

• Isradipine

IUPAC Name: 5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 75695-93-1
Synonyms: isradipine, DynaCirc, Lomir, Isradipin, Isrodipine, Esradin, Prescal, Clivoten, Dynacirc CR, Dynacrine, Rebriden, DynaCire, Icaz, (+-)-Isradipine, Isradipinum [Latin], Isradipino [Spanish], DynaCire CR, (+/-)-Isradipine, DynaCirc (TN), Spectrum_000218

Molecular Formula:	C₁₉H₂₁N₃O₅	Molecular Weight:	371.387140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N

• Itraconazole

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 84625-61-6
Synonyms: itraconazole, Oriconazole, Sporanox, Intraconazole, Itrizole, Itrizole (TN), Sporanox (TN), ITCZ, Itraconazol [Spanish], Itraconazolum [Latin], Itraconazole & Nyotran, Itraconazole (JAN/USAN), CHEBI:6076, Itraconazole & Bovine Lactoferrin, AIDS007334, AIDS093050, AIDS121432, AIDS-007334, AIDS-093050, AIDS-121432

Molecular Formula:	C₃₅H₃₈Cl₂N₈O₄	Molecular Weight:	705.633420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	10

InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N

• Ivermectin

Synonyms: IVERMECTIN, 22,23-Dihyroavermectin B1, 22,23-Dihydroxy-avermectin B, DB00602, 5-O-demethyl-22,23-dihydro-avermectin A1a, C07970

Molecular Formula:	C₉₅H₁₄₆O₂₈	Molecular Weight:	1736.158940 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	28

InChIKey: SPBDXSGPUHCETR-MVGRHBATSA-N

• Jervine

IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one | CAS Registry Number: 469-59-0
Synonyms: Iervin, JERVINE, NSC7520, Oprea1_026500, MLS001212077, The compound has not trivial name., NSC23898, CID222153, BAS 03241907, NCI60_041644, SMR000518437, Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3.beta.,23.beta.)-, WLN: L D6 B566 CV FX DU LUTJ A1 E1 OQ F-& CT56 BOX FMTJ D1 H1, Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]-pyridin]-11(1H)-one,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-

Molecular Formula:	C₂₇H₃₉NO₃	Molecular Weight:	425.603460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CLEXYFLHGFJONT-UHFFFAOYSA-N

• K-252b

Synonyms: K-252b solution, CTK3I7353, FT-0627562, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylicacid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, (9S,10R,12R)-

Molecular Formula:	C₂₆H₁₉N₃O₅	Molecular Weight:	453.446160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AMSOPBXQXSAAAC-PLZPTFKGSA-N

• Kainic acid

IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid | CAS Registry Number: 487-79-6
Synonyms: kainic acid, Helminal, Digenin, Digenic acid, Kainate, Acidum kainicum, Acide kainique, Acido kainico, Digensaeure, Kainsaeure, L-alpha-Kainic acid, alpha-Kainic acid, alpha- Kainic acid, nchembio881-comp3, alpha-Allokainic acid, Kainic acid monohydrate, 1p1n, Kainic acid [INN:JAN], Acide kainique [INN-French], Acido kainico [INN-Spanish]

Molecular Formula:	C₁₀H₁₅NO₄	Molecular Weight:	213.230400 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-N

• Kanamycin sulfate

IUPAC Name: (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol; sulfuric acid | CAS Registry Number: 25389-94-0
Synonyms: Kantrex, Kanamycin monosulfate, Kanamycin A sulfate, Kantrex (TN), Kanamycin acid sulfate, Ambap2147, Kanamycin sulfate (TN), Kanamycin sulfate (USP), Kanamycin sulfate (JP15), Kanamycin monosulfate (JP15), CHEBI:6109, C08046, D00866, D03262, KM

Molecular Formula:	C₁₈H₃₈N₄O₁₅S	Molecular Weight:	582.577120 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	19

InChIKey: OOYGSFOGFJDDHP-KMCOLRRFSA-N

• KB-R7943 mesylate

IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate | CAS Registry Number: 182004-65-5
Synonyms: KB-R7943, 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE, 2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea, methane sulfonate, 4-((4-Nitrobenzyl)oxy)phenethyl carbamimidothioate methanesulfonate, CTK0H1228, MolPort-003-983-603, HMS3267H09, ABP000807, ANW-53711, IN1281, KB-R 7943, AKOS015940233, AG-E-31850, CCG-222451, CS-0848, AK-88524, HY-15415, KB-19278, KB-R7943 mesylate|182004-65-5|KB-R 7943, 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester, methanesulfonate (1:1)

Molecular Formula:	C₁₇H₂₁N₃O₆S₂	Molecular Weight:	427.495140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: WGIKEBHIKKWJLG-UHFFFAOYSA-N

• Ketamine Hydrochloride

IUPAC Name: 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one hydrochloride | CAS Registry Number: 1867-66-9
Synonyms: Ketalar, Ketaset, Calipsol, Kalipsol, Ketanest, Ketavet, Ketolar, Vetalar, Ketamine chloride, Mixture Name, Ketavet 100, Ketavet (Veterinary), KETAMINE HYDROCHLORIDE, Ketalar (TN), KETAMINE HCL, Ketaset Plus (Veterinary), C13H16ClNO.HCl, ()-Ketamine hydrochloride, (+-)-Ketamine hydrochloride, DEA No. 7285

Molecular Formula:	C₁₃H₁₇Cl₂NO	Molecular Weight:	274.186180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VCMGMSHEPQENPE-UHFFFAOYSA-N

• Ketoconazole

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone | CAS Registry Number: 65277-42-1
Synonyms: ketoconazole, Fungarest, Fungoral, Ketoderm, Nizoral, Ketoconazol, Ketoisdin, Panfungol, Xolegel, Extina, Orifungal M, Nizoral a-D, (+)-Ketoconazole, Prestwick_744, Ambap5952, Tocris-1103, (2R,4S)-ketoconazole, Prestwick0_000389, Prestwick1_000389, Prestwick2_000389

Molecular Formula:	C₂₆H₂₈Cl₂N₄O₄	Molecular Weight:	531.430920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N