S,S-아토르바스타틴

ent-Atorvastatin

HCID 62976CAS 110862-48-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O
InChIKey: XUKUURHRXDUEBC-SVBPBHIXSA-N
분자식: C33H35FN2O5
평균 분자량: 558.6 g/mol

개요

See also: Atorvastatin (annotation moved to).

이름 및 식별자

우선 이름: ent-Atorvastatin
IUPAC: (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
현지명: S,S-아토르바스타틴
영어명: (3S,5S)-Atorvastatin sodium salt
분자식: C33H35FN2O5
분자량: 558.64

이름 및 동의어

501121-34-2ent-Atorvastatin3S,5S-AtorvastatinU2H272PQ8B(3S,5S)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acidDTXSID708613271H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaS,deltaS)-1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, (betaS,deltaS)-RefChem:1084110DTXCID201781364(3S,5S)-AtorvastatinAtorvastatin, (+/-)-

이름 더 보기

S,S-아토르바스타틴Atorvastatin EP Impurity EAtorvastatin lysineent-Atorvastatin Sodium3S,5S-Atorvastatin SodiumS,S-Atorvastatin Sodium Salt(3S,5S)-7-(2-(4-fluorophenyl)-(3S,5S)-Atorvastatin Sodium SaltAtorvastatin EP imp E (Free Acid)Atorvastatin USP Related CoMpound E

(rel)-Atorvastatin110862-48-1(3s,5s)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1h-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid36TN91XZ0V(3S,5S)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-rel-C33H35FN2O5S,S-ATORVASTATIN

데이터베이스 식별자

CAS: 110862-48-1、501121-34-2
PubChem CID: 62976
DTXSID: DTXSID60274003
UNII: 36TN91XZ0V、U2H272PQ8B
EC Number: 111-912-4
Nikkaji: J3.077.142G

물성

구조 계산 물성

XLogP: 5
극성 표면적: 112 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 41
형식 전하: 0
복잡도: 822

물리화학적 성질

녹는점: 182 · 182-184°C
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 하얀색
안정성: 흡습성

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H361f (100%): Suspected of damaging fertility [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (100%)

화학 및 산업

공급사50 곳

BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]

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

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

연결된 노트

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