3beta-Acetoxyandrost-5-en-17-one

HCID 14709CAS 853-23-6

기본 정보

표준 SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
InChIKey: NCMZQTLCXHGLOK-ZKHIMWLXSA-N
분자식: C21H30O3
평균 분자량: 330.5 g/mol
단동위원소 질량: 330.21949481

이름 및 식별자

우선 이름: 3beta-Acetoxyandrost-5-en-17-one
IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
영어명: Dehydroepiandrosterone acetate
분자식: C21H30O3
분자량: 330.47

이름 및 동의어

Dehydroepiandrosterone acetate853-23-63beta-acetoxyandrost-5-en-17-one45751H45MYRefChem:505556Prasterone acetateDehydroisoandrosterone 3-acetateDehydroisoandrosterone acetateDhea acetateDehydroepiandrosterone 3-acetatetrans-Dehydroandrosterone acetateAndrost-5-en-17-one, 3-(acetyloxy)-, (3b)-

이름 더 보기

3β-Acetoxyandrost-5-en-17-one3b-Hydroxy-5-androstene-17-one acetate3-β-acetoxy-5-androsten-17-one3BETA-ACETOXY-5-ANDROSTEN-17-ONEDHEA Acetate (Prasterone acetate)DHA, (10,13-DIMETHYL-17-OXO-1,2,3,4,7,8,9,11,12,14,15,16-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-3-YL) ACETATEskf2847

3beta-Acetoxy-5-androstene-17-one[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate17-Oxoandrost-5-en-3beta-yl acetateDehydroisoandosterone 3-acetateDTXSID3020380Androstenolone acetate(3beta)-17-oxoandrost-5-en-3-yl acetate(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

데이터베이스 식별자

CAS: 853-23-6
PubChem CID: 14709
DTXSID: DTXSID3020380
ChEMBL: CHEMBL1480686
ChEBI: CHEBI:135410
UNII: 45751H45MY
EC Number: 212-714-1
Nikkaji: J22.729C

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 24
형식 전하: 0
복잡도: 606

물리화학적 성질

녹는점: 168 · 168-170 °C(lit.)
끓는 점: 407.89 °C · 407.89°C (rough estimate)
밀도: 1.0998 · 1.0998 (rough estimate)
증기압: 0 Pa · 0Pa at 20℃
굴절률: 1.5192 · 1.5192 (estimate)
저장 조건: Refrigerator
용해도: 클로로포름, DMSO(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 11.5 mg/L · 11.5mg/L(온도는 명시되지 않음)
InChI: InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/s3
InChIKey: NCMZQTLCXHGLOK-KJBVPOJVSA-N
SMILES: C[C@]12CC[C@H](OC(=O)C)CC1=CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |&1:1,4,13,15,21,25,r|
LogP: 5.1 at · 5.1 at 20℃

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H351 (79.2%): Suspected of causing cancer [Warning Carcinogenicity]；H360 (16.7%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H361 (79.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27602

Hazard Classes and CategoriesAcute Tox. 4 (75%)；Acute Tox. 4 (75%)；Acute Tox. 4 (75%)；Carc. 2 (79.2%)；Repr. 1B (16.7%)；Repr. 2 (79.2%)

규제 정보

Regulatory InformationStatus: Active Update: 12-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27602

안전 데이터

wgk: 3
rtecs: BV8396810
safety_code: 22-24/25
기존화학 물질: KE-00068

화학 및 산업

응용 분야

용도A metabolite of Dehydroepiandrosterone. This mammalian pro-hormone promotes brain and immune function

상·하류 제품 정보

하류 제품

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

南京望知星医药科技有限公司18569809817 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

연결된 노트

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