Dimethisterone Monohydrate

HCID 65320CAS 41354-30-7
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基本信息

标准SMILES
CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.O
InChIKey
REHJTMDOJHAPJV-IVTQUDKZSA-N
分子式
C23H34O3
平均分子量
358.5 g/mol
单同位素质量
358.25079494

名称与标识

首选名称
Dimethisterone Monohydrate
IUPAC
(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;hydrate

名称与别名

Dimethisterone monohydrateRefChem:920287UNII-K4MZ02M17541354-30-7Dimethisterone [USAN:INN:BAN:NF]17beta-Hydroxy-6-alpha-methyl-17-(1-propynyl)androst-4-en-3-one monohydrate(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;hydrateDimethisterone (JAN/USAN)DIMETHISTERONE [JAN]DIMETHISTERONE [USAN]SCHEMBL1649077CHEMBL3989718
展开更多名称
DTXSID30194305REHJTMDOJHAPJV-IVTQUDKZSA-NDIMETHISTERONE MONOHYDRATE [MI]Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, monohydrate, (6.alpha.,17.beta.)-D0229817beta-hydroxy-6alpha-methyl-17-(1-propynyl)androst-4-en-3-one monohydrateAndrost-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, monohydrate, (6alpha,17beta)-(1S,3aS,3bR,5S,9aR,9bS,11aS)-1-Hydroxy-5,9a,11a-trimethyl-1-(prop-1-yn-1-yl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one--water (1/1)

数据库标识

CAS
41354-30-7
PubChem CID
65320
DTXSID
DTXSID30194305
UNII
K4MZ02M175

性质

结构计算性质

极性表面积
38.3 Ų
氢键供体
2
氢键受体
3
可旋转键
1
重原子
26

化学与工业

药理信息

MeSH Pharmacological Classification · 2 条

Oral contraceptives which owe their effectiveness to hormonal preparations.

Oral contraceptives which owe their effectiveness to synthetic preparations.

相关反应

1 条
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关联笔记

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