기본 정보
- CAS
53-41-8- 표준 SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
QGXBDMJGAMFCBF-HLUDHZFRSA-N- 분자식
- C19H30O2
- 평균 분자량
- 290.4 g/mol
- 단동위원소 질량
- 290.2245802
이름 및 식별자
- 우선 이름
- Androsterone
- IUPAC
- (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- 영어명
- Androsterone
- 분자식
- C19H30O2
- 분자량
- 290.44
이름 및 동의어
androsterone53-41-8AndrokinineAndrotine3alpha-Hydroxy-5alpha-androstan-17-one5alpha-Androsterone3-Epihydroxyetioallocholan-17-one3alpha-Hydroxyetioallocholan-17-one5alpha-Androstane-3alpha-ol-17-one3alpha-Hydroxy-17-androstanone3-alpha-Hydroxy-5-alpha-androstan-17-oneDTXSID3036525
이름 더 보기
AndrostroneAndrotinCIS-ANDROSTERONEU 6036U 60366NSC 9898Androkinin
Androstan-17-one, 3-hydroxy-, (3alpha,5alpha)-(3alpha,5alpha)-3-hydroxyandrostan-17-one(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-oneC24W7J5D5RCHEBI:16032NSC-9898DTXCID1016525(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-one
데이터베이스 식별자
- CAS
53-41-8- PubChem CID
- 5879
- DTXSID
DTXSID3036525- ChEMBL
CHEMBL87285- ChEBI
CHEBI:16032- UNII
- C24W7J5D5R
- EC Number
- 200-173-4
- Nikkaji
- J4.145I
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 458
실험 및 물리화학적 성질
LogP3.69
Solubility0.012 mg/mL at 23 °C
Melting Point185 °C
Physical DescriptionSolid
Collision Cross Section
164.08 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；172.06 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；194.11 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
166.6 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；176.71 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 녹는점
- 181 · 181-184 °C(lit.)
- 끓는 점
- 372.52 °C · 372.52°C (rough estimate)
- 밀도
- 1.032 · 1.0320 (rough estimate)
- 굴절률
- 1.4709 · 1.4709 (estimate)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 4.1% (3 of 73) of reports.
Danger
H315 (94.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (93.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (93.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 73 reports by companies.；There are 5 notifications provided by 70 of 73 reports by companies with hazard statement code(s).；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 Information
Chemical: Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-
Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Environment tier I assessment；IMAP assessments - Androstan-17-one, 3-hydroxy-, (3.alpha.,5.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (94.5%)；Eye Irrit. 2 (94.5%)；Resp. Sens. 1 (93.2%)；STOT SE 3 (93.2%)
화학 및 산업
약리 정보
Tissue LocationsIntestine；Prostate；Testis
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite PathwaysAndrostenedione Metabolism
응용 분야
용도It was isolated from male urine after removed of the phenolic estrogen fraction.
상·하류 제품 정보
하류 제품
공급사97 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北伽凡贸易有限公司+86-15354498258 · [email protected]
Ningbo Qingteng Plastic Cost.,Ltd.
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