Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D05DMH
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| Former ID |
DNC003262
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| Drug Name |
(5BETA)-PREGNANE-3,20-DIONE
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| Synonyms |
5beta-Pregnane-3,20-dione; 3,20-Pregnanedione; 5beta-Pregnan-3,20-dione; 128-23-4; 5beta-Dihydroprogesterone; (5BETA)-PREGNANE-3,20-DIONE; NSC 82868; UNII-105J2Q45A0; 5beta-Dihydro Progesterone; 5.beta.-Dihydroprogesterone; 5.beta.-Pregnan-3,20-dione; CHEBI:30154; Pregnane-3,20-dione, (5b)-; XMRPGKVKISIQBV-XWOJZHJZSA-N; 105J2Q45A0; 5b-pregnane-3,20-dione; CI2; (5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one; 5.beta.-Pregnane-3,20-dione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C21H32O2
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| Canonical SMILES |
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
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| InChI |
1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
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| InChIKey |
XMRPGKVKISIQBV-XWOJZHJZSA-N
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| CAS Number |
CAS 128-23-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7839, 121291, 7886603, 8145445, 10225548, 14899139, 14899140, 44423544, 50019522, 57335315, 57391862, 80605625, 85300809, 92297704, 93167031, 99444028, 103144187, 103648019, 104408247, 117622600, 127324447, 127324448, 129710912, 131297313, 135051498, 135650851, 137183493, 152138160, 160968630, 162476054, 180122461, 184578986, 198971312, 224539155, 226970982, 249910350, 252342237
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| ChEBI ID |
CHEBI:30154
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2759). | |||
| REF 2 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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