CAS 103335-55-3 (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (HCID 9818495)

이름 및 식별자

우선 이름: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acid
현지명: 3-옥소-4-아자-5-알파-안드로스탄-17-베타-카르복실산
영어명: 3-Oxo-4-aza-5-alpha-androstane-17-beta-carboxylic acid
분자식: C19H29NO3
분자량: 319.44

이름 및 동의어

3-Oxo-4-aza-5alpha-androstane-17beta-carboxylic acid(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno(5,4-f)quinoline-7-carboxylic acidRefChem:403146407-820-1926-719-8103335-55-33-Oxo-4-aza-5-alpha-androstane-17-beta-carboxylic acid4-Aza-5alpha-androstan-3-one-17beta-carboxylic acid(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxylic acidMFCD064110203-Oxo-4-aza-5alpha-androstan-17beta-carboxylic Acid

이름 더 보기

3-옥소-4-아자-5-알파-안드로스탄-17-베타-카르복실산M3-ACIDF9 acidfinasteride iMpurityFinasteride Impurity ⅠDutasteride Impurity 3Dutasteride Acid DihydroFinasteride Intermediate M3ACIDDutasteride impurity A(C4X-16451)Dutasteride / Finasteride impurity3-Oxo-4-aza-5alpha-androstane-17bet

(4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acidMJXIPHMGYJXKLJ-MLGOENBGSA-N3-Oxo-4-aza-5a-androstan-17b-carboxylic Acid4-aza-5|A-androstan-3-one-17|A-carboxylic acidSCHEMBL950691DTXSID00431299Finasteride Dihydro Carboxylic AcidEX-A1950

데이터베이스 식별자

CAS: 103335-55-3
PubChem CID: 9818495
DTXSID: DTXSID00431299
EC Number: 407-820-1、926-719-8

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 23
형식 전하: 0
복잡도: 547

물리화학적 성질

녹는점: 308 °C · >308 °C(Solv: acetone (67-64-1))
끓는 점: 518.2 · 518.2±50.0 °C(Predicted)
밀도: 1.145 · 1.145±0.06 g/cm3(Predicted)
용해도: DMSO (Sparingly), Methanol (Very Slightly, Heated, Soniciated)
물리적 상태: powder to crystal
산도 계수 (pKa): 4.81 · 4.81±0.60(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 3.61 mg/L · 3.61mg/L
InChIKey: MJXIPHMGYJXKLJ-MLGOENBGSA-N
SMILES: N1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@]([H])([C@]3([H])CC2)CC[C@@H]4C(O)=O)CCC1=O
LogP: 1.92 · 1.92

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H341 (16.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H373 (16.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 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: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28240；Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4033

Hazard Classes and Categories · 2건

Repr. 2 (100%)

Acute Tox. 4 (33.3%)；Repr. 2 (50%)；STOT RE 2 (16.7%)；Aquatic Chronic 3 (33.3%)

규제 정보

Regulatory InformationStatus: Active Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28240；Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4033

안전 데이터

HS 번호: 2937.29.9050

화학 및 산업

상·하류 제품 정보

하류 제품

메틸4-AZA-5ALPHA-ANDROSTA-3-ONE-17BETA-CARBOXYLATE 4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid

공급사100 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

화합물 노트

불러오는 중…

3-옥소-4-아자-5-알파-안드로스탄-17-베타-카르복실산

기본 정보