Dimethisterone Monohydrate

HCID 65320CAS 41354-30-7
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기본 정보

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
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

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Oral contraceptives which owe their effectiveness to hormonal preparations.

Oral contraceptives which owe their effectiveness to synthetic preparations.

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