Dimethisterone Monohydrate
기본 정보
- CAS
41354-30-7- 표준 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- 분자식
- C23H34O3
- 평균 분자량
- 358.5 g/mol
- 단동위원소 질량
- 358.25079494
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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
이름 더 보기
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)
데이터베이스 식별자
- CAS
41354-30-7- PubChem CID
- 65320
- DTXSID
DTXSID30194305- ChEMBL
CHEMBL3989718- UNII
- K4MZ02M175
물성
구조 계산 물성
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 706
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Oral contraceptives which owe their effectiveness to hormonal preparations.
Oral contraceptives which owe their effectiveness to synthetic preparations.
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