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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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• D-Glutamic acid

IUPAC Name: (2R)-2-aminopentanedioic acid | CAS Registry Number: 6893-26-1
Synonyms: D-glutamic acid, D-glutamate, D-Glutaminic acid, L-glutamic acid, D-Glutaminsaeure, Glutamic acid D-form, GLUTAMIC ACID, D-Glu, D-2-Aminoglutaric acid, L-(+)-glutamic acid, Tocris-0217, R-(-)-Glutamic acid, D-GLT, nchembio.145-comp28, D-2-Aminopentanedioic acid, Lopac-G-2128, (R)-2-aminopentanedioic acid, Biomol-NT_000169, (R)-2-Aminoglutaric acid, D-[14C]Glu

Molecular Formula:	C₅H₉NO₄	Molecular Weight:	147.129260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WHUUTDBJXJRKMK-GSVOUGTGSA-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

• Dantrolene sodium

IUPAC Name: sodium 3-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate | CAS Registry Number: 14663-23-1
Synonyms: Dantrium, Dantamacrin, Dantrix, DANTROLENE SODIUM, Ryanodex, Sodium dantrolene, Ambap2213, Dantrolene, Sodium Salt, Dantrolene sodium anhydrous, Dantrolene Sodium (anhydrous), Dantrolene sodium hemiheptahydrate, 2C14H9N4O5.2Na, Dantrolene sodium [USAN:BAN:JAN], EINECS 238-706-8, 2C14H9N4O5.2Na.7H2O, CID6604100, F 440, NCGC00093847-01, LS-76265, LS-174074

Molecular Formula:	C₁₄H₉N₄NaO₅	Molecular Weight:	336.234830 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: KSRLIXGNPXAZHD-HAZZGOGXSA-M

• Dapsone

IUPAC Name: 4-(4-aminophenyl)sulfonylaniline | CAS Registry Number: 80-08-0
Synonyms: dapsone, Diaphenylsulfone, Disulone, Dapson, Diaphenylsulfon, Avlosulfone, Diphenasone, Sulfadione, Sulfona, Aczone, Udolac, Metabolite C, Sulfonyldianiline, Croysulfone, Sulphadione, Acedapsone, Avlosulfon, Novophone, Dapsonum, Dumitone

Molecular Formula:	C₁₂H₁₂N₂O₂S	Molecular Weight:	248.300880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MQJKPEGWNLWLTK-UHFFFAOYSA-N

• Daunorubicin hydrochloride

IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride | CAS Registry Number: 23541-50-6
Synonyms: Cerubidine, Daunoblastin, Daunoblastina, Rubomycin, Ondena, Daunomycin HCL, Cerubidine (TN), Daunomycin chlorohydrate, Daunomycin hydrochloride, Rubidomycin hydrochloride, WP900 hydrochloride, Daunomycin, hydrochloride, DAUNORUBICIN HCL, Ambap1316, RP 13057 hydrochloride, DAUNORUBICIN HYDROCHLORIDE, CCRIS 915, (−)-Daunorubicin, MLS000069508, W4013_SIGMA

Molecular Formula:	C₂₇H₃₀ClNO₁₀	Molecular Weight:	563.980800 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: GUGHGUXZJWAIAS-QQYBVWGSSA-N

• Dequalinium chloride

IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride | CAS Registry Number: 522-51-0
Synonyms: dequalinium chloride, Dequafungan, Dequavagyn, Phylletten, Polycidine, Decamine, Decaminum, Dekuarin, Dequadin, Dequavet, Eriosept, Grocreme, Labosept, Optipect, Danical, Decabis, Decosan, Dekadin, Dekamin, Erosept

Molecular Formula:	C₃₀H₄₀Cl₂N₄	Molecular Weight:	527.571400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LTNZEXKYNRNOGT-UHFFFAOYSA-N

• Desipramine hydrochloride

IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine hydrochloride | CAS Registry Number: 58-28-6
Synonyms: Norpramin, Pertofrane, Pertofran, Norpolake, Nortimil, Pertofrin, Petylyl, DMI hydrochloride, desipramine, Desiprimine, Pertrofan, Desipramine Hcl, Demethylimipramine, Norpramin (TN), Prestwick_706, Desmethylimipramine chloride, Desimipramine, hydrochloride, Desipramine monohydrochloride, Demethylimipramine hydrochloride, Imipraminedemethyl hydrochloride

Molecular Formula:	C₁₈H₂₃ClN₂	Molecular Weight:	302.841620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XAEWZDYWZHIUCT-UHFFFAOYSA-N

• Desloratadine

Synonyms: Clarinex, Neoclarityn, Aerius, Descarboethoxyloratadine, Desloratidine, Denosin, Desalex, Azomyr, Opulis, Allex, Clarinex RediTabs, Descarboethoxyoratidine, Clarinex (TN), Desloratadine [USAN], Desloratadine (USAN/INN), Essex brand of desloratadine, Sch 34117, MLS000559042, MLS000759406, MLS001201801

Molecular Formula:	C₁₉H₁₉ClN₂	Molecular Weight:	310.820560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JAUOIFJMECXRGI-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

• Devazepide

IUPAC Name: N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide | CAS Registry Number: 103420-77-5
Synonyms: Devacade, DEVAZEPIDE, Devazepide (USAN/INN), MK-329, CHEBI:105535, CID443375, PDSP1_000936, PDSP2_000922, ZINC01847292, NCGC00159551-01, C11710, D02693, L 364718, L-364718, BRD-K31238592-001-01-6, L-364,718, (S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide, 1H-Indole-2-carboxylic acid ((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide, 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide, 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (L-364,718 ((S)-devazepide)

Molecular Formula:	C₂₅H₂₀N₄O₂	Molecular Weight:	408.451900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NFHRQQKPEBFUJK-HSZRJFAPSA-N

• Dexfenfluramine Hcl

IUPAC Name: (2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride | CAS Registry Number: 3239-45-0
Synonyms: Redux, Glypolix, Isolipan, Isomeride, Adifax, d-Fenfluramine hydrochloride, Redux (TN), Dexafenfluramine hydrochloride, DEXFENFLURAMINE HYDROCHLORIDE, (+)-Fenfluramine hydrochloride, F112_SIGMA, C12H16F3N.HCl, DEA No. 1670, Dexfenfluramine hydrochloride, S 5614 HCl, ()-Fenfluramine hydrochloride, EINECS 221-806-0, Dexfenfluramine hydrochloride [USAN], Dexfenfluramine hydrochloride (USAN), IP-001

Molecular Formula:	C₁₂H₁₇ClF₃N	Molecular Weight:	267.718290 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZXKXJHAOUFHNAS-FVGYRXGTSA-N

• DHBP dibromide

IUPAC Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium dibromide | CAS Registry Number: 6159-05-3
Synonyms: 180858_ALDRICH, EINECS 228-178-7, 1,1'-Diheptyl-4,4'-bipyridinium dibromide, ST5411858, 4,4'-Bipyridinium, 1,1'-diheptyl-, dibromide, 57872-53-4

Molecular Formula:	C₂₄H₃₈Br₂N₂	Molecular Weight:	514.379920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VRXAJMCFEOESJO-UHFFFAOYSA-L

• 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 sodium

IUPAC Name: sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate | CAS Registry Number: 15307-79-6
Synonyms: Solaraze, Voltaren, Prophenatin, Arthrotec, Dichronic, Neriodin, Orthophen, Tsudohmin, Voltarol, Feloran, Kriplex, Ortofen, Valetan, Sodium diclofenac, diclofenac, Anthraxiton, Allvoran, Delphimix, Voltarene, Batafil

Molecular Formula:	C₁₄H₁₀Cl₂NNaO₂	Molecular Weight:	318.130470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KPHWPUGNDIVLNH-UHFFFAOYSA-M

• Dicloxacillin Sodium hydrate

IUPAC Name: sodium (2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate | CAS Registry Number: 13412-64-1
Synonyms: Dycill, Constaphyl, Diclocil, Pathocil, Brispen, Noxaben, Stampen, Digloxilline, Biocloxin, Dynapen, Novapen, Ciclex, Clocil, Diflor, Dicloxacillin sodium, Pen-Sint, Staphcillin A banyu, Dichlorstapenor sodium, Dycill (TN), MDI-PC

Molecular Formula:	C₁₉H₁₈Cl₂N₃NaO₆S	Molecular Weight:	510.323490 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: SIGZQNJITOWQEF-VICXVTCVSA-M

• Digitoxigenin

IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-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: 143-62-4
Synonyms: Cerberigenin, Evonogenin, Thevetigenin, Echujetin, 1lnm, Prestwick_169, Prestwick0_000436, Prestwick1_000436, Prestwick2_000436, Prestwick3_000436, BSPBio_000452, nchembio.2007.53-comp9, MLS002153810, D9404_SIGMA, SPBio_002391, BPBio1_000498, STOCK1N-24175, CHEBI:42219, LMST01120001, NCGC00179555-01

Molecular Formula:	C₂₃H₃₄O₄	Molecular Weight:	374.513660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XZTUSOXSLKTKJQ-CESUGQOBSA-N

• Digitoxin

IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,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-14-hydroxy-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: 71-63-6
Synonyms: digitoxin, Digitoxoside, Crystodigin, Digitoksin, Digitoxinum, Cardigin, Crystodigin (TN), DIGITALIN, MLS000069787, D5878_SIGMA, Digitoxin (JP15/USP/INN), MEGxp0_001901, ACon0_000319, ACon1_000610, CHEBI:28544, CID441207, DB01396, SMP1_000096, NCGC00142623-03, SMR000058529

Molecular Formula:	C₄₁H₆₄O₁₃	Molecular Weight:	764.939060 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-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

• Dihydroergotamine mesylate

Synonyms: Dihydergot, Dihytamine, Migranal, DETMS, Migranal (TN), Dihydroergotamine mesilate, EMBOLEX, DHE-45, 9,10-Dihydroergotamine mesylate, Dihydroergotamine methanesulfonate, SPECTRUM1500248, Dihydroergotamine mesylate [USAN], Dihydroergotamine mesylate (USP), EINECS 228-235-6, Dihydroergotamine monomethanesulfonate, C33H37N5O5.CH4O3S, MT 300, Dihydroergotamine mesilate (JP15), D.H.E. 45, LS-64558

Molecular Formula:	C₃₄H₄₁N₅O₈S	Molecular Weight:	679.783040 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: ADYPXRFPBQGGAH-UMYZUSPBSA-N

• Dihydrokainic acid

IUPAC Name: (2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid | CAS Registry Number: 52497-36-6
Synonyms: Dihydrokainate, 1ftk, 1xhy, Dihydrokainic Acid, Natural, D1064_SIGMA, CHEBI:43562, PDSP2_001490, 2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid, (3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)-L-proline, 3-carboxymethyl-4-isopropyl-pyrrolidine-2-carboxylic acid, (2S,3S,4R)-2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid, (2S,3S,4R)-2-carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid, 3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethyl)-, (2S,3S,4R)-, KAI, (2S,3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylic acid, (2S-(2alpha,3beta,4beta))-2-Carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid, DHK

Molecular Formula:	C₁₀H₁₇NO₄	Molecular Weight:	215.246280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: JQPDCKOQOOQUSC-OOZYFLPDSA-N

• Dihydrosphingosine

IUPAC Name: 2-aminooctadecane-1,3-diol | CAS Registry Number: 3102-56-5
Synonyms: 2-Aminooctadecane-1,3-diol, DL-dihydrosphingosine, SAFINGOL, 2-amino-1,3-octadecandiol, 1,3-Dihydroxy-2-aminooctadecane, DL-1,3-Dihydroxy-2-aminooctadecane, 13552-09-5, (-)-threo-Dihydrosphingosine, (2R,3R)-2-aminooctadecane-1,3-diol, 15639-50-6, 73938-69-9, D-erythro Sphinganine, L-(-)-threo-Sphingnine, AC1Q7BN3, UNII-OWA98U788S, 2-azanyloctadecane-1,3-diol, MLS000028682, D6783_SIGMA, AC1L1F88, CHEBI:46968

Molecular Formula:	C₁₈H₃₉NO₂	Molecular Weight:	301.507760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: OTKJDMGTUTTYMP-UHFFFAOYSA-N

• Dimebolin

IUPAC Name: 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole | CAS Registry Number: 3613-73-8
Synonyms: Dimeboline, Dimebone, Dimebon, Preparation 84, Dimebon HCl, Dimebon dihydrochloride, MLS002264475, UNII-8B9414QQ5M, UNII-OD9237K1Z6, NIOSH/UV0626000, C21H25N3, BRN 0622478, CID197033, SMR001317776, LS-133645, UV0626000, PF 01913539, PF-01913539, 5-23-07-00382 (Beilstein Handbook Reference), 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-

Molecular Formula:	C₂₁H₂₅N₃	Molecular Weight:	319.443300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JNODQFNWMXFMEV-UHFFFAOYSA-N

• Diphenhydramine hydrochloride

IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine hydrochloride | CAS Registry Number: 147-24-0
Synonyms: Benadryl, Carphenamine, Allergival, Dimedrolum, Sedopretten, Allergan, Benacine, Bendylate, Benzantin, Caladryl, Carphenex, Cathejell, Denydryl, Dimedrol, Diphamine, Eldadryl, Fenylhist, Halbmond, Histacyl, Noctomin

Molecular Formula:	C₁₇H₂₂ClNO	Molecular Weight:	291.815680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PCHPORCSPXIHLZ-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

• Disulfiram

IUPAC Name: diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate | CAS Registry Number: 97-77-8
Synonyms: disulfiram, Antabuse, Alcophobin, Anticol, Teturam, Tetraethylthiuram disulfide, Dicupral, Antabus, Esperal, Refusal, Ethyldithiurame, Antietanol, Antivitium, Thiuranide, Abstensil, Antaethyl, Contralin, Tetradine, Tetraetil, Teturamin

Molecular Formula:	C₁₀H₂₀N₂S₄	Molecular Weight:	296.539200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: AUZONCFQVSMFAP-UHFFFAOYSA-N

• Ditolylguanidine

IUPAC Name: 1,2-bis(2-methylphenyl)guanidine | CAS Registry Number: 97-39-2
Synonyms: Vulkacite DOTG, Vulkacit DOTG, Eveite DOTG, Vulkacit dotg/C, Nocceler DT, Sanceler DT, DOTG accelerator, Di-o-tolylguanidine, Soxinol DT, Akrochem DOTG, Vulcafor DOTG, DOTG, Diorthotolylguanidine, 1,3-Ditolylguanidine, 1,3-Di-o-tolyguanidine, 1,3-Di-o-tolylguanidine, Guanidine, 1,3-di-o-tolyl-, N,N'-Di-o-tolylguanidine, 1,3-Bis(o-tolyl)guanidine, Tocris-0841

Molecular Formula:	C₁₅H₁₇N₃	Molecular Weight:	239.315580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N

• DMP-543

IUPAC Name: 10,10-bis[(2-fluoropyridin-4-yl)methyl]anthracen-9-one | CAS Registry Number: 160588-45-4
Synonyms: 10,10-BIS[(2-FLUORO-4-PYRIDINYL)METHYL]-9(10H)-ANTHRACENONE, SureCN1111017, CHEMBL343822, CTK8E9252, DMP 543, MolPort-003-983-560, HMS3268N10, NCGC00092374-01, FT-0643556, BRD-K89274813-001-01-5

Molecular Formula:	C₂₆H₁₈F₂N₂O	Molecular Weight:	412.430726 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MUJBUUDUXGDXLW-UHFFFAOYSA-N

• DNQX

IUPAC Name: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione | CAS Registry Number: 2379-57-9
Synonyms: dnqx, 1ftl, Tocris-0189, Lopac-D-0540, Biomol-NT_000182, Lopac0_000345, Oprea1_127694, 6,7-Dinitroquinoxaline-2,3-dione, MLS000705107, D0540_SIGMA, 6,7-dinitro-2,3-quinoxalinediol, BPBio1_001176, C8H4N4O6, FG 9041, FG-9041, CID3899541, NCGC00015319-01, NCGC00024490-01, NCGC00024490-02, NCGC00024490-03

Molecular Formula:	C₈H₄N₄O₆	Molecular Weight:	252.140560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: RWVIMCIPOAXUDG-UHFFFAOYSA-N

• Dobutamine hydrochloride

IUPAC Name: 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol hydrochloride | CAS Registry Number: 49745-95-1
Synonyms: Dobutrex, Inotrex, Posiject, Dobutamine Hcl, Dobutrex (TN), Prestwick_741, DL-Dobutamine hydrochloride, C18H23NO3.HCl, Dobutamina clorhidrato [Spanish], MLS000860012, MLS001332503, MLS001332504, D0676_SIGMA, Dobutamine Hcl in Dextrose 5%, EINECS 256-464-1, NSC 299583, NSC299583, Dobutamine hydrochloride (JP15/USP), Dobutamine hydrochloride [USAN:BAN:JAN], LY 46236

Molecular Formula:	C₁₈H₂₄ClNO₃	Molecular Weight:	337.841060 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	4

InChIKey: BQKADKWNRWCIJL-UHFFFAOYSA-N

• Domoic acid

IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-[(2Z,4E,6R)-7-hydroxy-6-methyl-7-oxohepta-2,4-dien-2-yl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 14277-97-5
Synonyms: domoic acid, L-Domoic acid, domoate, Domoic Acid, Mytilus edulis, HSDB 7242, MLS000517259, D6152_SIGMA, C15H21NO6, NSC 288031, BRN 5768789, 56711-43-4 (hydrochloride salt), CID5282253, NCGC00024520-02, SMR000127427, C13732, LS-137112, BRD-K52217427-001-02-3, 3-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, (2S-(2-alpha,3-beta,4-beta(1Z,3E,5S*)))-, 2 alpha-carboxy-4 beta-(5-carboxy-1-methyl-1,3 beta-hexadienyl)-3-pyrrolidineacetic acid, (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID

Molecular Formula:	C₁₅H₂₁NO₆	Molecular Weight:	311.330340 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: VZFRNCSOCOPNDB-AOKDLOFSSA-N

• Domperidone

IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one | CAS Registry Number: 57808-66-9
Synonyms: domperidone, Motilium, Domperidon, Nauzelin, Gastrocure, Domidon, Apo Domperidone, Apo-Domperidone, Nu Domperidone, Nu-Domperidone, Domperidon AL, Domperidon Hexal, Domperidon Stada, Novo Domperidone, Novo-Domperidone, PMS Domperidone, PMS-Domperidone, ratio Domperidone, ratio-Domperidone, Domperidon TEVA

Molecular Formula:	C₂₂H₂₄ClN₅O₂	Molecular Weight:	425.911260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FGXWKSZFVQUSTL-UHFFFAOYSA-N

• Dopamine hydrochloride

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol hydrochloride | CAS Registry Number: 62-31-7
Synonyms: intropin, Dopastat, Dynatra, Revivan, dopamine, Dopamine.HCl, Actopamin, Dopamine chloride, Dopamine HCl, 3-Hydroxytyramine, Actopamin (TN), Intropin (TN), 3-Hydroxytyramine hydrochloride, m-Hydroxytyramine hydrochloride, ASL 279, C8H11NO2.HCl, Intropin [as hydrochloride], 3,4-Dihydroxyphenylethylamine, MLS000069419, MLS001074180

Molecular Formula:	C₈H₁₂ClNO₂	Molecular Weight:	189.639380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: CTENFNNZBMHDDG-UHFFFAOYSA-N

• Dorzolamide hydrochloride

IUPAC Name: (4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride | CAS Registry Number: 130693-82-2
Synonyms: Trusopt, Cosopt, dorzolamide, Mixture Name, DORZOLAMIDE HYDROCHLORIDE, Dorzolamide hydrochloride [USAN], C10H16N2O4S3.HCl, MK 0507, MK-0507, MK 507, MK-507, LS-152562, L 671152, L-671,152, (4S,6S)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide, monohydrochloride, 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, monohydrochloride, (4S-trans)-, 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-(ethylamino)-6-methyl-, 7,7-dioxide, monohydrochloride, (4S,6S)-, 4-ethylamino-5,6-dihydro-6-methyl-7,7-dioxide-4H-thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-ethylamino-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide

Molecular Formula:	C₁₀H₁₇ClN₂O₄S₃	Molecular Weight:	360.900980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: OSRUSFPMRGDLAG-CIRBGYJCSA-N

• Doxazosin mesylate

IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-2-yl)methanone; methanesulfonic acid | CAS Registry Number: 77883-43-3
Synonyms: Cardura, Cardenalin, Progandol, Tensiobas, Cardular, Carduran, Dedralen, Doxazomerck, Prostadilat, Tonocardin, Cardoral, Cardoxan, Diblocin, Doxolbran, Kaltensif, Normathen, Supressin, Alfadil, Doksura, Doxaben

Molecular Formula:	C₂₄H₂₉N₅O₈S	Molecular Weight:	547.580760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: VJECBOKJABCYMF-UHFFFAOYSA-N

• Doxepin hydrochloride

IUPAC Name: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 1229-29-4
Synonyms: Doxepin Hydrochloride, Sinequan, Curatin, Adapin, Novoxapin, Aponal, Toruan, Doxepin HCl, Silenor, Zonalon, Doxepine hydrochloride, Novoxapin hydrochloride, Prestwick_187, Cidoxepin hydrochloride, MF 10 HCl, Doxepin Hydrochloride [USAN], C19H21NO.HCl, MLS000069794, MLS001148235, D4526_SIGMA

Molecular Formula:	C₁₉H₂₂ClNO	Molecular Weight:	315.837080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MHNSPTUQQIYJOT-SJDTYFKWSA-N

• Doxorubicin hydrochloride

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 hydrochloride | CAS Registry Number: 25316-40-9
Synonyms: Adriamycin, Adriacin, Doxil, Rubex, Doxorubicin Hydrochloride, Adriamycin (TN), Adriacin (TN), Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN, HYDROCHLORIDE, MLS000028393, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891

Molecular Formula:	C₂₇H₃₀ClNO₁₁	Molecular Weight:	579.980200 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	12

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

• Doxycycline hydrochloride

IUPAC Name: (2Z,4S,4aR,5S,5aR,6R)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride | CAS Registry Number: 10592-13-9
Synonyms: Doxycycline hyclate, Prestwick_1072, MLS002154032, CID6420082, SMR001233359

Molecular Formula:	C₂₂H₂₅ClN₂O₈	Molecular Weight:	480.895500 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	10

InChIKey: VLUQVUWDECWBTL-WGDOXZFCSA-N

• DPCPX

IUPAC Name: 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione | CAS Registry Number: 102146-07-6
Synonyms: 1,3-Dpcpx, 8-Cyclopentyl-1,3-dipropylxanthine, Spectrum_000271, Tocris-0439, 1,3-dipropyl-8-cyclopentylxanthine, Lopac-C-101, Spectrum2_001808, Spectrum3_001073, Spectrum4_001228, Spectrum5_001887, [DPCPX], [3H]DPCPX, C101_SIGMA, Lopac0_000381, BSPBio_002686, KBioGR_001696, KBioSS_000751, MLS000069347, MLS001076525, DivK1c_000177

Molecular Formula:	C₁₆H₂₄N₄O₂	Molecular Weight:	304.387360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FFBDFADSZUINTG-UHFFFAOYSA-N

• DuP-697

IUPAC Name: 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene | CAS Registry Number: 88149-94-4
Synonyms: dup-697, Dup 697, Tocris-1430, MLS000758941, MLS001424298, NCGC00025161-01, CPD000466299, SAM001247101, SMR000466299, LS-152908, C11704, 5-Bromo-2-(4-fluorophenyl)-3-(4-methysulfonylphenyl)thiophene, C064874, Thiophene, 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-, Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]- [CAS], 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene

Molecular Formula:	C₁₇H₁₂BrFO₂S₂	Molecular Weight:	411.308383 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AJFTZWGGHJXZOB-UHFFFAOYSA-N

• Ebselen

IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one | CAS Registry Number: 60940-34-3
Synonyms: ebselen, Harmokisane, Ebselene, Ebseleno, Ebselenum, Ebselene [French], Ebselenum [Latin], Ebseleno [Spanish], Ebselen [INN], Prestwick_1057, nchembio.109-comp1, C13H9NOSe, Prestwick0_000740, Prestwick1_000740, Prestwick2_000740, Prestwick3_000740, Spectrum2_001441, Spectrum3_000799, Spectrum4_000445, Spectrum5_001713

Molecular Formula:	C₁₃H₉NOSe	Molecular Weight:	274.176660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

• Edaravone

IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula:	C₁₀H₁₀N₂O	Molecular Weight:	174.199200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• Ellagic acid

Synonyms: ellagic acid, Benzoaric acid, Lagistase, Eleagic acid, Elagostasine, Alizarine Yellow, Llagic acid, Ellagsaeure, Polyphenolic, Gallogen, Acid, Benzoaric, Gallogen (VAN), Acid, Ellagic, Ellagic acid dihydrate, Gallogen (astringent), Gallogen, astringent, Spectrum_001194, Spectrum2_000905, Spectrum3_001535, Spectrum4_000750

Molecular Formula:	C₁₄H₆O₈	Molecular Weight:	302.192640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-N

• Ellipticine

IUPAC Name: 5,11-dimethyl-6H-pyrido[4,3-b]carbazole | CAS Registry Number: 519-23-3
Synonyms: ellipticine, Elliptisine, Prestwick_194, Ambap1705, Prestwick0_000614, Prestwick1_000614, Prestwick2_000614, Prestwick3_000614, Lopac-E-3380, Probes1_000152, Probes2_000130, Neuro_000031, CCRIS 2003, CP 5, ICIG 770, Lopac0_000531, BSPBio_000548, Ellipticine, monohydrochloride, MLS000028487, MLS000736786

Molecular Formula:	C₁₇H₁₄N₂	Molecular Weight:	246.306460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CTSPAMFJBXKSOY-UHFFFAOYSA-N

• Emodin

IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione | CAS Registry Number: 518-82-1
Synonyms: emodin, Emodol, Schuttgelb, Frangula emodin, Rheum emodin, Archin, Frangulic acid, Persian Berry Lake, rheum emodium, Frangula-emodin, Aloe emodin, Emodin, Rheum, Emodin, Frangula, persian b erry lake, C.I. Natural Yellow 14, Spectrum_001954, 1f0q, SpecPlus_000332, Spectrum2_000895, Spectrum3_000742

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

• Enalapril

IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 75847-73-3
Synonyms: enalapril, Spectrum_001307, Prestwick3_000314, Spectrum2_001455, Spectrum3_001478, Spectrum4_000008, Spectrum5_001107, BSPBio_000308, BSPBio_003035, KBioGR_000355, KBioSS_001787, DivK1c_000408, SPBio_001349, BPBio1_000340, KBio1_000408, KBio2_001787, KBio2_004355, KBio2_006923, KBio3_002535, NINDS_000408

Molecular Formula:	C₂₀H₂₈N₂O₅	Molecular Weight:	376.446720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: GBXSMTUPTTWBMN-XIRDDKMYSA-N

• Endothelin 1 (swine, human)

Synonyms: Endothelin 1, L000250, Cys-Ser-Cys-Ser-Ser-Leu-Met- Asp-Lys-Glu-Cys-Val-Tyr-Phe- Cys-His-Leu-Asp-Ile-Ile-Trp

Molecular Formula:	C₁₀₉H₁₅₉N₂₅O₃₂S₅	Molecular Weight:	2491.902060 [g/mol]
H-Bond Donor:	32	H-Bond Acceptor:	35

InChIKey: ZUBDGKVDJUIMQQ-UHFFFAOYSA-N

• Epalrestat

IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | CAS Registry Number: 82159-09-9
Synonyms: epalrestat, Kinedak, Epalrestat [INN], Epalrestatum [Latin], Kinedak (TN), Epalrestat (JAN/INN), Ono 2235, Ono-2235, ONO 2, ONO-2, MLS000806985, C15H13NO3S2, SBB015450, NCGC00164613-01, SMR000414799, LS-151103, D01688, 3-carboxymethyl-5-(methyl-3-phenylpropenylidene)rhodanine, 5-((Z,E)-beta-Methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-

Molecular Formula:	C₁₅H₁₃NO₃S₂	Molecular Weight:	319.398620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-N

• Erythromycin Lactobionate

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-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid | CAS Registry Number: 3847-29-8
Synonyms: Erythrocin, erythromycin, Erythrocin (TN), erythromycin lactobionate, Erythromycin lactobionate [JAN], EINECS 223-348-7, Erythromycin lactobionate (1:1) (salt), Erythromycin lactobionate (JP15/USP), Erythromycin. compd. with lactobionic acid, C37H67NO13.C12H22O12, LS-87509, Lactobionic acid, compd. with erythromycin (1:1), D02009, Erythromycin, 4-O-beta-D-galactopyranosyl-D-gluconate (salt), 4-O-beta-D-Galactopyranosyl-D-gluconic acid compd. with erythromycin, Erythromycin mono(4-O-beta-D-galactopyranosyl-D-gluconate) (salt), D-Gluconic acid, 4-O-beta-D-galactopyranosyl-, compd. with erythromycin (1:1), D-Gluconic acid, 4-O-beta-D-galactopyranosyl-, compd. with erythromycin (1:1) (9CI), 1334-29-8, EML

Molecular Formula:	C₄₉H₈₉NO₂₅	Molecular Weight:	1092.222660 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	26

InChIKey: NNRXCKZMQLFUPL-WBMZRJHASA-N

• Esmolol hydrochloride

IUPAC Name: methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate hydrochloride | CAS Registry Number: 81161-17-3
Synonyms: Brevibloc, Esmolol HCL, Brevibloc (TN), Asl 8052, C16H25NO4.HCl, Esmolol hydrochloride [USAN], HSDB 6530, MLS001401393, Brevibloc in plastic container, UNII-V05260LC8D, Esmolol hydrochloride (JAN/USAN), 81147-92-4 (Parent), ASL-8052, CID104769, CPD000469141, LS-31122, SAM001246533, SMR000469141, TL8005428, Brevibloc Double Strength in plastic container

Molecular Formula:	C₁₆H₂₆ClNO₄	Molecular Weight:	331.834940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GEKNCWBANDDJJL-UHFFFAOYSA-N

• Estradiol

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 50-28-2
Synonyms: estradiol, beta-Estradiol, 17beta-Estradiol, Estrace, progynon, Dihydroxyestrin, Oestradiol, Diogynets, Aquadiol, Dihydrofolliculin, Divigel, Vagifem, Diogyn, Dihydrotheelin, Oestroglandol, Dimenformon, Estraldine, Follicyclin, Gynoestryl, Perlatanol

Molecular Formula:	C₁₈H₂₄O₂	Molecular Weight:	272.381960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N