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• Citalopram

IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 59729-33-8
Synonyms: citalopram, Nitalapram, Cytalopram, Cipram, Escitalopram, Citadur, Lexapro, [3H]Citalopram, Citadur (TN), Citalopram [Celexa], Citalopramum [INN-Latin], citalopram hydrobromide, Citalopram (USP/INN), Citalopram [BAN:INN], Citalopram [INN:BAN], Prestwick3_000692, Lopac0_000258, BSPBio_000843, BPBio1_000929, C20H21FN2O

Molecular Formula:	C₂₀H₂₁FN₂O	Molecular Weight:	324.391943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WSEQXVZVJXJVFP-UHFFFAOYSA-N

• Citalopram hydrobromide

IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile hydrobromide | CAS Registry Number: 59729-32-7
Synonyms: citalopram hydrobromide, Celexa, citalopram, Nitalapram, Cipramil, Seropram, Apertia, Elopram, Prisdal, Cipram, Lupram, Sepram, Celexa (TN), C20H21FN2O.HBr, Citalopram hydrobromide [USAN], HSDB 7042, MLS000758293, MLS000860078, MLS001401376, C7861_SIGMA

Molecular Formula:	C₂₀H₂₂BrFN₂O	Molecular Weight:	405.303883 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WIHMBLDNRMIGDW-UHFFFAOYSA-N

• Clarithromycin

IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-12-methoxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione | CAS Registry Number: 81103-11-9
Synonyms: clarithromycin, Biaxin, Klaricid, Macladin, Clarith, Klacid, Veclam, Naxy, Clambiotic, Clathromycin, Astromen, Bicrolid, Claribid, Claricide, Heliclar, Klaciped, Mabicrol, Abbotic, Clacine, Cyllind

Molecular Formula:	C₃₈H₆₉NO₁₃	Molecular Weight:	747.953360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: AGOYDEPGAOXOCK-KCBOHYOISA-N

• Clavulanic Acid

IUPAC Name: (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 58001-44-8
Synonyms: Clavulanate, CLAVULANIC ACID, Clavulansaeure, Clavulox, Clavulinic Acid, Acido clavulanico, Acide clavulanique, Isoclavulanic acid, Sodium Clavulanate, acidum clavulanicum, Clavulox (TN), Clavulansaeure [INN], Potassium clavulanate, Antibiotic MM 14151, Clavulanic acid (INN), Clavulanic acid [BAN:INN], BSPBio_002430, C8H9NO5, Acide clavulanique [INN-French], Acido clavulanico [INN-Spanish]

Molecular Formula:	C₈H₉NO₅	Molecular Weight:	199.160760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: HZZVJAQRINQKSD-PBFISZAISA-N

• Clevudine

IUPAC Name: 1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 163252-36-6
Synonyms: Levovir, Revovir, L-FMAU, Clevudine (USAN), AIDS047722, AIDS097993, AIDS-047722, AIDS-097993, CID73115, ZINC00001484, LS-192609, D03537, 2'-Fluoro-5-methyl-beta-L-arabinofuranosyluracil, 2'-Fluoro-5-methyl-.beta.-L-arabinofuranosyluracil, 1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)thymine, 1-(2-Deoxy-2-fluoro-beta-L-arabinofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione, 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-.beta.-L-arabinofuranosyl)-5-methyl-, 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-5-methyl-

Molecular Formula:	C₁₀H₁₃FN₂O₅	Molecular Weight:	260.219023 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GBBJCSTXCAQSSJ-XQXXSGGOSA-N

• Clomiphene

IUPAC Name: 2-[4-[(Z)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine | CAS Registry Number: 911-45-5
Synonyms: clomiphene, Zuclomiphene, Cisclomiphene, Clomifene, cis-Clomiphene, Chloramiphene, Cisclomifenum, Zuclomifene, cis-Clomifene, Clomiphene B, Chlomaphene, Chloramifene, Clostilbegit, Enclomifene, Enclomiphen, Klostilbegit, Clomifen, Clomifeno, Gravosan, Serophene

Molecular Formula:	C₂₆H₂₈ClNO	Molecular Weight:	405.959620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GKIRPKYJQBWNGO-QPLCGJKRSA-N

• Clopidogrel

IUPAC Name: methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate | CAS Registry Number: 113665-84-2
Synonyms: clopidogrel, Plavix, (+)-Clopidogrel, Clopidogrel (TN), Clopidogrel (INN), Plavix (TN), Spectrum_000105, Clopidogrel [BAN:INN], Clopidogrel [INN:BAN], Spectrum2_000512, Spectrum3_001606, Spectrum4_000175, CLOPIDOGREL SULFATE, C16H16ClNO2S, BSPBio_003211, KBioGR_000689, KBioSS_000545, MLS001165708, MLS001195633, MLS001304711

Molecular Formula:	C₁₆H₁₆ClNO₂S	Molecular Weight:	321.821740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GKTWGGQPFAXNFI-HNNXBMFYSA-N

• Clozapine

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 5786-21-0
Synonyms: clozapine, Clozapin, Leponex, Fazaclo, Clorazil, Iprox, CLOZARIL, Asaleptin, Lepotex, Clozaril (TN), Prestwick_693, Ambap805, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Spectrum_000139, Tocris-0444, Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828

Molecular Formula:	C₁₈H₁₉ClN₄	Molecular Weight:	326.823260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZUXABONWMNSFBN-UHFFFAOYSA-N

• Cortisone

IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione | CAS Registry Number: 53-06-5
Synonyms: cortisone, Adrenalex, Cortisate, Cortistal, Cortivite, Andreson, Cortisal, Cortogen, Cortone, Adreson, Compound E, Reichstein Fa, Kendall's compound E, Cortandren, Cortadren, Corlin, Cortisonum, Cortison, Cortisona, Incortin

Molecular Formula:	C₂₁H₂₈O₅	Molecular Weight:	360.444020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N

• Cortodoxone

IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 152-58-9
Synonyms: Cortexolone, 11-Deoxycortisol, Reichstein S, 11-Desoxycortisol, CORTODOXONE, Substance S, 11 Deoxycortisol, 11-Dioxycortisol, 11-Desoxycortisone, Cortodoxone (USAN), Reichstein's substance S, 11-Deoxyhydrocortisone, Cortisol, 11-deoxy-, 11-Desoxyhydrocortisone, Reichstein's compound S, 17alpha-Hydroxycortexone, 17-alpha-Hydroxycortexone, Cortodoxonum [INN-Latin], Substance S, Reichstein's, 11-DEOXY-CORTISOL

Molecular Formula:	C₂₁H₃₀O₄	Molecular Weight:	346.460500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WHBHBVVOGNECLV-OBQKJFGGSA-N

• Coumarin

IUPAC Name: chromen-2-one | CAS Registry Number: 91-64-5
Synonyms: coumarin, cumarin, 1,2-Benzopyrone, Rattex, 2H-1-Benzopyran-2-one, Tonka bean camphor, Coumarinic anhydride, Coumarine, 2H-Chromen-2-one, Benzo-alpha-pyrone, Benzopyrone, Coumarinic lactone, :coumarin, Kumarin [Czech], Venalot mono, Coumaric Acid, Benzo-a-pyrone, coumarinac lactone, chromen-2-one, Benzo-2-pyrone

Molecular Formula:	C₉H₆O₂	Molecular Weight:	146.142740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

• Cromoglicic Acid

IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid | CAS Registry Number: 16110-51-3
Synonyms: cromolyn, Intal, Chromoglycate, Cromoglycate, Gastrocrom, Chromolyn, Cromoptic, Frenasma, Inostral, Nasalcrom, Nebulasma, Opticrom, Rynacrom, Aararre, Lomudal, Lomudas, Lomusol, Nalcrom, Aarane, Crolom

Molecular Formula:	C₂₃H₁₆O₁₁	Molecular Weight:	468.366540 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: IMZMKUWMOSJXDT-UHFFFAOYSA-N

• Cromolyn sodium

IUPAC Name: disodium 5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate | CAS Registry Number: 15826-37-6
Synonyms: Gastrocrom, Intal, Frenasma, Nasalcrom, Nebulasma, Opticrom, Rynacrom, Aararre, Lomudal, Lomudas, Lomusol, Nalcrom, Aarane, Lomuda, Nasmil, Sodium cromolyn, Chromolyn sodium, sodium cromoglicate, Cromoglycate, Gastrofrenal

Molecular Formula:	C₂₃H₁₄Na₂O₁₁	Molecular Weight:	512.330200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	11

InChIKey: VLARUOGDXDTHEH-UHFFFAOYSA-L

• Custom Synthesis

• Custom Synthesis: Pharmaceuticals

• Cyclobenzaprine

Synonyms: cyclobenzaprine, Proheptatrien, Proheptatriene, Flexeril, Lisseril, Yurelax, Cyclobenzaprine HCL, Proeptatriene [Italian], Flexeril hydrochloride, nchembio747-comp21, Cyclobenzaprine (INN), Cyclobenzaprine [INN], MK 130 hydrochloride, Spectrum_001535, Cyclobenzaprine hydrochloride, 10,11-Dehydroamitriptyline, Prestwick0_000445, Prestwick1_000445, Prestwick2_000445, Prestwick3_000445

Molecular Formula:	C₂₀H₂₁N	Molecular Weight:	275.387440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JURKNVYFZMSNLP-UHFFFAOYSA-N

• Cytarabine

IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 147-94-4
Synonyms: cytarabine, Arabinocytidine, Cytarabin, Cytosine arabinoside, Arabinosylcytosine, Ara-C, Cytarabinoside, Aracytidine, Cytarabina, Aracytin, Tarabine, Cytosar, Depocyt, Alexan, Udicil, Spongocytidine, Arabitin, Aracytine, Arafcyt, Cytosine arabinose

Molecular Formula:	C₉H₁₃N₃O₅	Molecular Weight:	243.216620 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N

• Daidzein

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 486-66-8
Synonyms: daidzein, Daidzeol, Diadzein, Isoaurostatin, 4',7-Dihydroxyisoflavone, 7,4'-Dihydroxyisoflavone, Daidzein (6CI), nchembio.76-comp16, Spectrum_000255, Tocris-1417, BiomolKI_000060, Spectrum2_000053, Spectrum3_000191, Spectrum4_001964, Spectrum5_000857, Lopac-D-7802, BiomolKI2_000066, UPCMLD-DP052, CCRIS 7600, Lopac0_000412

Molecular Formula:	C₁₅H₁₀O₄	Molecular Weight:	254.237500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N

• Daidzin

IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 552-66-9
Synonyms: Daidzoside, Daidzein 7-glucoside, Daidzein-7-glucoside, Daidzein 7-O-glucoside, Ambap7584, 4',7-Dihydroxyisoflavone, daidzein 7-O-beta-D-glucoside, nchembio.2007.28-comp34, MEGxp0_000530, 7-O-B-D-GLUCOPYRANOSIDE, 30408_FLUKA, ACon1_002092, CHEBI:42202, BRN 0059741, Daidzein-7-O-beta-D-glucopyranoside, CID107971, NCGC00163532-01, NCGC00179839-01, LS-39679, C10216

Molecular Formula:	C₂₁H₂₀O₉	Molecular Weight:	416.378100 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-N

• Dapsone Hydroxylamine

IUPAC Name: N-[4-(4-aminophenyl)sulfonylphenyl]hydroxylamine | CAS Registry Number: 32695-27-5
Synonyms: N-Hydroxydapsone, Dds-noh, Dapsonehydroxylamine, Dapsone hydroxylamine, HADS, CHEBI:336094, AIDS009735, AIDS-009735, CID65387, ZINC02020110, 4-Hydroxylamino-4'-aminophenyl sulfone, 4-Amino-4'-hydroxylaminodiphenylsulfone, [4,(4-Hydroxylaminophenyl-sulfonyl)]aniline, NI 1-146-1, 4-AMINO-4'-HYDROXAMINE-DIPHENYLSULPHONE, Benzenamine, 4-((4-aminophenyl)sulfonyl)-N-hydroxy-, N-[4-(4-Amino-benzenesulfonyl)-phenyl]-hydroxylamine

Molecular Formula:	C₁₂H₁₂N₂O₃S	Molecular Weight:	264.300280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: IYDSJDWESCGRKW-UHFFFAOYSA-N

• Darunavir

IUPAC Name: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 206361-99-1
Synonyms: Prezista, Darunavirum, 2idw, 2ien, Darunavir [USAN], TMC-114, Darunavirum [INN-Latin], TMC114, 2f8g, 2hs1, 2hs2, Darunavir (USAN/INN), UIC-94017, TMC 114, AIDS073035, UNII-YO603Y8113, 2f80, 2f81, AIDS-073035, CID213039

Molecular Formula:	C₂₇H₃₇N₃O₇S	Molecular Weight:	547.663580 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N

• Dasatinib

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide | CAS Registry Number: 302962-49-8
Synonyms: Sprycel, BMS Dasatinib, Dasatinib [USAN], Dasatinib (USAN), nchembio.117-comp11, SPRYCEL (TN), BMS-354825, BMS354825, BMS 354825, CHEBI:49375, NSC732517, CID3062316, DB01254, NSC-732517, NCGC00181129-01, BCB03_000715, LS-186641, LS-187028, LS-187773, D03658

Molecular Formula:	C₂₂H₂₆ClN₇O₂S	Molecular Weight:	488.005540 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

• Deacetyldiltiazem

IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one | CAS Registry Number: 42399-40-6
Synonyms: CID91638, EINECS 255-795-9, (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Molecular Formula:	C₂₀H₂₄N₂O₃S	Molecular Weight:	372.481160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NZHUXMZTSSZXSB-MOPGFXCFSA-N

• Decane, 1-methoxy-

IUPAC Name: 1-methoxydecane | CAS Registry Number: 7289-52-3
Synonyms: 1-Methoxydecane, Decyl methyl ether, Methyl decyl ether, Methyl n-decyl ether, ETHER, DECYL METHYL, Hydrocarbons, C1O, methoxylated, EINECS 230-718-1, Hydrocarbons, C10, methoxylated, (C10) Hydrocarbons, methoxylated, CID23716, BRN 1736529, EINECS 273-565-6, LS-67812, 3-01-00-01760 (Beilstein Handbook Reference), 68989-91-3

Molecular Formula:	C₁₁H₂₄O	Molecular Weight:	172.307660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JPEWDCTZJFUITH-UHFFFAOYSA-N

• Deferasirox

IUPAC Name: 4-[(3Z,5E)-3,5-bis(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-1-yl]benzoic acid | CAS Registry Number: 201530-41-8
Synonyms: Exjade, Deferasirox [INN], Exjade (TN), Deferasiroxum [INN-Latin], Deferasirox [USAN:INN], ICL670A, ICL 670, ICL 670A, ICL670, Deferasirox (JAN/USAN/INN), CHEBI:49005, CID5493381, DB01609, LS-186571, LS-187785, D03669, 4-(3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid, 4-(3,5-Bis-(hydroxy-phenyl)-1,2,4)triazol-1-yl)-benzoic acid, 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid, Benzoic acid, 4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-

Molecular Formula:	C₂₁H₁₅N₃O₄	Molecular Weight:	373.361500 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: FMSOAWSKCWYLBB-VBGLAJCLSA-N

• Deflazacort

Synonyms: Oxazacort, DEFLAZACORT, Flantadin, Azacort, Calcort, Dezacor, Deflan, Deflazacort (USAN/INN), DL-458IT, MDL-458, D03671, L-5458, Pregna-1,4-diene-11,21-diol(17alpha,16alpha-d)2'-methyloxazoline-3,20-dione-21-acetate, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate, 4'H-Pregna-1,4-dieno(16,17-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-, 74712-90-6

Molecular Formula:	C₂₅H₃₁NO₆	Molecular Weight:	441.516740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: FBHSPRKOSMHSIF-GRMWVWQJSA-N

• Desipramine

IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine | CAS Registry Number: 50-47-5
Synonyms: desipramine, Norimipramine, Desimipramine, Dezipramine, Desipramin, Desmethylimipramine, Norpramine, Demethylimipramine, Dimethylimipramine, desipraminum, Monodemethylimipramine, Desimpramine, Desipramina, Pertofrane, Pertofran, Sertofran, Desipramine Hcl, Desipramine (D4), DMI (pharmaceutical), Imipramine, demethyl-

Molecular Formula:	C₁₈H₂₂N₂	Molecular Weight:	266.380680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N

• Desmopressin

IUPAC Name: N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[4-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-13-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-10-(phenylmethyl)-18,19-dithia-2,5,8,11,14-pentazacycloicosane-1-carbonyl]pyrrolidine-2-carboxamide | CAS Registry Number: 16679-58-6
Synonyms: Adiuretin, DESMOPRESSIN, Minirin, Adiuretin SD, DDAVP, Desmopressin acetate, Desmopressin (INN), Desmopresina [INN-Spanish], Desmopressine [INN-French], Desmopressinum [INN-Latin], Desmopressin [INN:BAN], Deamino Arginine Vasopressin, Vasopressin, Deamino Arginine, 1-Deamino-8-D-arginine vasopressin, 1-Desamino-8-D-arginine vasopressin, C4H10.CH2O, EINECS 240-726-7, 1-Desamino-8-arginine Vasopressin, Desamino-8-D-arginine vasopressin, l-, Desmopressin Monoacetate, Trihydrate

Molecular Formula:	C₄₆H₆₄N₁₄O₁₂S₂	Molecular Weight:	1069.216960 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	15

InChIKey: NFLWUMRGJYTJIN-UHFFFAOYSA-N

• Desogestrel

IUPAC Name: (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol | CAS Registry Number: 54024-22-5
Synonyms: DESOGESTREL, desogen, Cerazette, Marvelon, Cyclessa, Mircette, Kariva, ortho-Cept, Mixture Name, Desogestrelum [INN-Latin], Org-2969, Desogestrel (USAN/INN), Desogestrel [USAN:BAN:INN], Org2969, Organon Brand of Desogestrel, HSDB 3593, ORG 2969, CHEBI:4453, EINECS 258-929-4, C22H30O

Molecular Formula:	C₂₂H₃₀O	Molecular Weight:	310.473000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RPLCPCMSCLEKRS-BPIQYHPVSA-N

• Desvenlafaxine

IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol | CAS Registry Number: 93413-62-8
Synonyms: Norvenlafaxine, O-Desmethylvenlafaxine, Desvenlafaxine [INN], Desvenlafaxine Succinate, Desvenlafaxine [INN:BAN], DVS 233, C16H25NO2, Desvenlafaxine Succinate [USAN], Wy 45233, Wy-45233, PDSP1_001804, PDSP2_001787, LS-178212, WY 45,233, WY-45,233, 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol, Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, 1-((1RS)-2-(Dimethylamino)-1-(4-hydroxyphenyl)ethyl)cyclohexanol hydrogen butanedioate monohydrate, 386750-22-7, Butanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate

Molecular Formula:	C₁₆H₂₅NO₂	Molecular Weight:	263.375200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KYYIDSXMWOZKMP-UHFFFAOYSA-N

• Diazepam

IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one | CAS Registry Number: 439-14-5
Synonyms: diazepam, Valium, Ansiolisina, Diazemuls, Relanium, Stesolid, Apaurin, Faustan, Seduxen, Sibazon, Methyldiazepinone, Calmocitene, Neurolytril, Bialzepam, Ceregulart, Condition, Diazetard, Liberetas, Relaminal, Serenamin

Molecular Formula:	C₁₆H₁₃ClN₂O	Molecular Weight:	284.740220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AAOVKJBEBIDNHE-UHFFFAOYSA-N

• Diazoxide

IUPAC Name: 7-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide | CAS Registry Number: 364-98-7
Synonyms: diazoxide, Hyperstat, Proglycem, Hypertonalum, Proglicem, Eudemine, Dizoxide, Mutabase, Diazossido, Aroglycem, Diazossido [DCIT], Hyperstat (TN), Diazossido [Italian], Prestwick_163, Diazoxidum [INN-Latin], Sch 6783, Diazoxido [INN-Spanish], Tocris-0964, nchembio.150-comp49, Prestwick0_000087

Molecular Formula:	C₈H₇ClN₂O₂S	Molecular Weight:	230.671380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: GDLBFKVLRPITMI-UHFFFAOYSA-N

• Diclofenac

IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid | CAS Registry Number: 15307-86-5
Synonyms: diclofenac, Diclofenac acid, dichlofenac, Diclophenac, Pennsaid, Dichlofenal, Dicrofenac, Novapirina, Orthofen, Orthophen, Voltaren, Voltarol, Feloran, Ortofen, ProSorb-D, Diclonate P, Diclofenac sodium, Sodium diclofenac, Diclofenac potassium, Spectrum_000930

Molecular Formula:	C₁₄H₁₁Cl₂NO₂	Molecular Weight:	296.148640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

• Diethylpropion Hydrochloride

IUPAC Name: 2-(diethylamino)-1-phenylpropan-1-one hydrochloride | CAS Registry Number: 134-80-5
Synonyms: Tenuate, Moderatan, Dobesin, Menutil, Tepanil, Tenuate-Dospan, Magrex Retard, Lineal-Rivo, Nu-Dispoz, Tenuate Dospan, Tepanil Ten-tab, Regenon hydrochloride, DIETHYLPROPION, Diethylpropion HCL, Tenuate (TN), Amfepramon hydrochloride, Amfepramone hydrochloride, Amphepramonum hydrochloride, C13H19NO.HCl, DEA No. 1610

Molecular Formula:	C₁₃H₂₀ClNO	Molecular Weight:	241.757000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ICFXZZFWRWNZMA-UHFFFAOYSA-N

• Digoxin

IUPAC Name: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | CAS Registry Number: 20830-75-5
Synonyms: digoxin, Lanoxicaps, Lanoxin, Lanoxicaps (TN), Prestwick_170, Lanoxin (TN), 12beta-Hydroxydigitoxin, Prestwick0_000437, Prestwick1_000437, Prestwick2_000437, Prestwick3_000437, Digoxin (JP15/USP), BSPBio_000454, MLS000069819, MLS001055371, MLS001076495, D6003_SIGMA, D6770_SIGMA, SPBio_002393, BPBio1_000500

Molecular Formula:	C₄₁H₆₄O₁₄	Molecular Weight:	780.938460 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: LTMHDMANZUZIPE-PUGKRICDSA-N

• Diltiazem

IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate | CAS Registry Number: 42399-41-7
Synonyms: diltiazem, d-cis-Diltiazem, Dilcontin, Dilticard, Endrydil, Anoheal, Acalix, Dilzen, Dilta-Hexal, Cardizem, Cardizem LA, Aldizem, Cardil, Dilren, Dilzem, Incoril AP, Dilacor XR, Diltiazem hydrochloride, Diltiazemum [INN-Latin], Tocris-0685

Molecular Formula:	C₂₂H₂₆N₂O₄S	Molecular Weight:	414.517840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: HSUGRBWQSSZJOP-RTWAWAEBSA-N

• Diltiazem hydrochloride

IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride | CAS Registry Number: 33286-22-5
Synonyms: Cardizem, Herbesser, Dilzene, Lacerol, Tildiem, Dilzem, Masdil, Tiazac, Mono-Tildiem, Angiotrofin, Dilicardin, Diltahexal, Dilzicardin, Pentilzeno, Altiazem, Bi-Tildiem, Britiazim, Calcicard, Cardiazem, Deltazen

Molecular Formula:	C₂₂H₂₇ClN₂O₄S	Molecular Weight:	450.978780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HDRXZJPWHTXQRI-BHDTVMLSSA-N

• Dimesna

IUPAC Name: 2-(2-sulfoethyldisulfanyl)ethanesulfonic acid | CAS Registry Number: 16208-51-8
Synonyms: coenzyme M, Bis(2-sulfoethyl)disulfide, 2,2'-Dithiodiethanesulfonic acid, CID65626, 2,2'-Dithidi-1-ethanesulfonic acid, Ethanesulfonic acid, 2,2'-dithiobis-, omega,omega'-Ethanedisulfidedisulfonic acid, 45127-11-5

Molecular Formula:	C₄H₁₀O₆S₄	Molecular Weight:	282.378600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BYUKOOOZTSTOOH-UHFFFAOYSA-N

• Dimethindene maleate

IUPAC Name: (Z)-but-2-enedioic acid; N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine | CAS Registry Number: 3614-69-5
Synonyms: Fenistil, Forhistal maleate, Fenistil-retard, Dimethinden maleate, Dimetindene maleate, Triten, Dimethpyrindene maleate, Forthistal maleate, Dimethindene Malenate, Forhistal maleate (TN), Dimetindene hydrogen maleate, Dimethindene maleate [USAN], Dimetindene maleate (JAN), Dimethindene maleate (USAN), EINECS 222-789-2, SU 6518, SU-6518, C20H24N2.C4H4O4, NSC 107677, NSC107677

Molecular Formula:	C₂₄H₂₈N₂O₄	Molecular Weight:	408.490120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: SWECWXGUJQLXJF-BTJKTKAUSA-N

• Dioxybenzone

IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone | CAS Registry Number: 131-53-3
Synonyms: dioxybenzone, Dioxybenzon, Dioxibenzonum, Solaquin, Advastab 47, Benzophenone-8, Cyasorb UV 24, Spectra-sorb UV 24, Mixture Name, Cyasorb UV 24 Light Absorber, Spectrum_000978, UF 2, Dioxybenzone [USAN:INN], Dioxybenzonum [INN-Latin], Dioxibenzona [INN-Spanish], Prestwick0_000898, Prestwick1_000898, Prestwick2_000898, Prestwick3_000898, Spectrum2_001032

Molecular Formula:	C₁₄H₁₂O₄	Molecular Weight:	244.242680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N

• Dipyridamole

IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol | CAS Registry Number: 58-32-2
Synonyms: dipyridamole, Dipyridamine, Dipyridamol, Persantine, Dipyudamine, Persantin, Curantyl, Kurantil, Stimolcardio, Cardioflux, Stenocardil, Cardoxin, Anginal, Apricor, Coribon, Corosan, Coroxin, Stenocardiol, Chilcolan, Dipyridan

Molecular Formula:	C₂₄H₄₀N₈O₄	Molecular Weight:	504.625600 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N

• Donepezil

IUPAC Name: 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one | CAS Registry Number: 120014-06-4
Synonyms: donepezil, Aricept, Spectrum_001664, Donepezil [INN:BAN], Spectrum5_001662, Oprea1_188452, KBioSS_002144, C24H29NO3, KBio2_002144, KBio2_004712, KBio2_007280, CID3152, DB00843, NCGC00167537-01, LS-81819, SL-00730, TL8000531, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-, 1-BENZYL-4-((5,6-DIMETHOXY-1-INDANON)-2-YL)-METHYLPIPERIDINE HYDROCHLORIDE,DL-, 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one

Molecular Formula:	C₂₄H₂₉NO₃	Molecular Weight:	379.491960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-N

• Donepezil Hydrochloride

IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride | CAS Registry Number: 120011-70-3
Synonyms: Aricept, donepezil, Donepezil hydrochloride, Memorit, Eranz, Memac, Aricept Evess, BNAG, Aricept D, Aricept ODT, Aricept (TN), Ambap6383, E 2020 (pharmaceutical), C24H29NO3.HCl, MLS000758276, MLS001401387, Donepezil hydrochloride [USAN], CID5741, Donepezil hydrochloride (JAN/USAN), E-2020

Molecular Formula:	C₂₄H₃₀ClNO₃	Molecular Weight:	415.952900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XWAIAVWHZJNZQQ-UHFFFAOYSA-N

• Dorzolamide

IUPAC Name: (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide | CAS Registry Number: 120279-96-1
Synonyms: dorzolamide, 1cil, Dorzolamide (DZA), Prestwick0_001116, Prestwick1_001116, Prestwick2_001116, Prestwick3_001116, BSPBio_001252, SPBio_003116, BPBio1_001377, STOCK6S-54482, CID5284549, AB00514687, C06969, (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, ETs

Molecular Formula:	C₁₀H₁₆N₂O₄S₃	Molecular Weight:	324.440040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: IAVUPMFITXYVAF-XPUUQOCRSA-N

• Doxercalciferol

IUPAC Name: (1S,3S,4E)-4-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-methylidenecyclohexane-1,3-diol | CAS Registry Number: 54573-75-0
Synonyms: Hectorol, doxacalciferol, 1alpha-OHD2, 1-Hydroxyergocalciferol, 1alpha(OH)2D2, 1alpha-hydroxyvitamin D2, 1-alpha-Hydroxyvitamin D2, 1alpha-Hydroxyergocalciferol, 1 alpha-hydroxyergocalciferol, TSA 840, BRN 4716774, Draxis brand of 1 alpha-hydroxyergocalciferol, Bone Care brand of 1 alpha-hydroxyergocalciferol, C042533, 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-, 125285-48-5, 87649-67-0

Molecular Formula:	C₂₈H₄₄O₂	Molecular Weight:	412.647760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DAQLPCKTVQWADC-MEVDWTRGSA-N

• Doxorubicin

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriamycin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French]

Molecular Formula:	C₂₇H₂₉NO₁₁	Molecular Weight:	543.519260 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Dronabinol

IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol | CAS Registry Number: 1972-08-3
Synonyms: Marinol, Deltanyne, delta9-THC, Tetranabinex, Compassia, delta1-THC, Hashish, Ganja, Cannabis resin, Drona binol, delta(sup 1)-Thc, delta(sup 9)-Thc, TETRAHYDROCANNABINOL, Tetrahydrocannabinols, Abbott 40566, delta-THC, 6H-Dibenzo, Dronabinolum [Latin], delta1-Tetrahydrocannabinol, delta9-Tetrahydrocannabinol

Molecular Formula:	C₂₁H₃₀O₂	Molecular Weight:	314.461700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CYQFCXCEBYINGO-IAGOWNOFSA-N

• Drospirenone

Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula:	C₂₄H₃₀O₃	Molecular Weight:	366.493200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

• Drug Chemical Intermediate

• Drug Intermediates