안드로스탄-17-온,2,3-에폭시-16-(1-피롤리디닐)

(2a,3a,5a,16b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-one

HCID 16063837
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기본 정보

CAS
159325-45-8
표준 SMILES
C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCC3)C[C@@H]12
InChIKey
ZZMJTNMGPPBIOY-CLGWBQSRSA-N
분자식
C23H35NO2
평균 분자량
357.5 g/mol
단동위원소 질량
357.26677936

이름 및 식별자

우선 이름
(2a,3a,5a,16b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-one
IUPAC
(1S,2S,4R,6S,8S,11R,12S,14S,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one
현지명
안드로스탄-17-온,2,3-에폭시-16-(1-피롤리디닐)
영어명
Androstan-17-one,2,3-epoxy-16-(1-pyrrolidinyl)
분자식
C23H35NO2
분자량
357.53

이름 및 동의어

159325-45-8(2a,3a,5a,16b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-oneEC 810-472-7Androstan-17-one,2,3-epoxy-16-(1-pyrrolidinyl)-(2alpha,3alpha,5alpha,16alpha,17beta)-(2S,3aS,3bR,5aS,6aS,7aR,8aS,8bS,10aS)-8a,10a-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]oxiren-1-one2,3-Epoxy-1H-cyclopenta[a]phenanthrene, Androstan-17-one deriv.rocuronium bromide impurity 37orb3181621SCHEMBL3836731DTXSID60717849ZZMJTNMGPPBIOY-CLGWBQSRSA-N(2,3,5,16)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-one
이름 더 보기
안드로스탄-17-온,2,3-에폭시-16-(1-피롤리디닐)AND-017Rocuronium Impurity 11Rocuronium Bromide Impurity 4(2S,3aS,3bR,5aS,6aS,7aR,8aS,8bS,10aS)2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-oneAndrostan-17-one,2,3-epoxy-16-(1-pyrrolidinyl)2,3-epoxy-16-(1-pyrrolidinyl)-, (2α,3α,5α,16β)-2α,3α-epoxy-16β-(1-pyrrolidinyl)-5α-androstane-17-one(2α,3α,5α,16β)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-one
16beta-(Pyrrolidin-1-yl)-2alpha,3alpha,5alpha-2,3-epoxyandrostan-17-one2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17-one(2I+/-lpha,3I+/-lpha,5I+/-lpha,16beta)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-one(1S,2S,4R,6S,8S,11R,12S,14S,16S)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0,.0,.0,octadecan-15-one

데이터베이스 식별자

CAS
159325-45-8
PubChem CID
16063837
DTXSID
DTXSID60717849
EC Number
810-472-7

물성

구조 계산 물성

XLogP
4.5
극성 표면적
32.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
26

물리화학적 성질

끓는 점
467.8 · 467.8±40.0 °C(Predicted)
밀도
1.18 g/cm3 · 1.18g/cm3 at 20℃
증기압
0.019 Pa · 0.019Pa at 20℃
저장 조건
2 · 2-8°C, protect from light
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
8.34 · 8.34±0.20(Predicted)

안전 및 규제

유해성 정보

Regulatory InformationREACH registered substance: Androstan-17-one,2,3-epoxy-16-(1-pyrrolidinyl)-(2α,3α,5α,16α,17β)- (EC: 810-472-7)

화학 및 산업

공급사37 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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