(3S,4aS,8aS)-2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide

HCID 9865804CAS 136522-17-3

기본 정보

표준 SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1
InChIKey: YJRJYYPXNAHNMD-LILSUDLASA-N
분자식: C24H39N3O2
평균 분자량: 401.6 g/mol
단동위원소 질량: 401.3042275

이름 및 식별자

우선 이름: (3S,4aS,8aS)-2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide
IUPAC: (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
영어명: (3S,4a,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinolin-3-carboxamide
분자식: C24H39N3O2
분자량: 401.59

이름 및 동의어

136522-17-3EC 430-230-0(3S,4aS,8aS)-2-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide(3S,4as,8as)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide(3S,4aS,8aS)-2-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamideRefChem:401506430-230-0(3S,4aS,8aS)-2-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-N-(tert-butyl)decahydroisoquinoline-3-carboxamideSCHEMBL561734CHEMBL3706527DTXSID90628696

이름 더 보기

Saquinavir EP Impurity CSaquinavir Mesylate EP Impurity C(N-tert-butyl-2-(3-amino-2-hydroxy-4-phenylbutyl)- decahydro isoquinoline-4-carboxamide)2-(3-amino-2-hydroxy-4-phenylbutyl)decahydroisoquinoline-3-carboxylic acid tert-butylamide(3S,4a,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinolin-3-carboxamide"cis-N-butyldecahydro-2--(4aS,8aS)-isoquinoline-3(S)-carboxaMide2-[3(S)-Amino-2(R)-hydroxy-4-phenylbutyl]-N-tert butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide

Saquinavir Mesilate EP Impurity CDB-102262NS00006279H35777(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydro-3-isoquinolinecarboxamide2-(3(S)-amino-2(R)-hydroxy-4-phenylbutyl)-N-t-butyl-decahydro-(4aS ,8aS)-isoquinoline-3(S)-carboxamide2-(3(S)-amino-2(R)-hydroxy-4-phenylbutyl)-N-t-butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3 (S)-amino-2(R)-hydroxy-4-phenyl-butyl]-N-tert.butyldecahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide

데이터베이스 식별자

CAS: 136522-17-3
PubChem CID: 9865804
DTXSID: DTXSID90628696
ChEMBL: CHEMBL3706527
EC Number: 430-230-0

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 78.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 527

물리화학적 성질

녹는점: 163 · 163-165°C
밀도: 1.078 · 1.078
저장 조건: Refrigerator
용해도: 클로로포름(약간) 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 하얀색

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 13-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/3524

Hazard Classes and Categories · 2건

Acute toxicity - category 4；Hazardous to the aquatic environment (chronic) - category 3

Acute Tox. 4 *；Aquatic Chronic 3

규제 정보

Regulatory InformationStatus: Cease Manufacture Update: 13-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/3524

안전 데이터

risk_code: 22-52/53
hazard_code: Xn
safety_code: 22-61

화학 및 산업

응용 분야

용도(3S,4aS,8aS)-

공급사25 곳

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

上海波以尔化工有限公司[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

湖北恩星生物科技有限公司16621771607 · [email protected]

연결된 노트

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