기본 정보
- CAS
693794-20-6- 표준 SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O- InChIKey
UNKLVVGSJZVOBR-KAYWLYCHSA-N- 분자식
- C33H34F2N2O5
- 평균 분자량
- 576.6 g/mol
- 단동위원소 질량
- 576.24357851
이름 및 식별자
- 우선 이름
- Fluoroatorvastatin
- IUPAC
- (3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
- 영어명
- Difluoro Atorvastatin
- 분자식
- C33H34F2N2O5
- 분자량
- 576.63
이름 및 동의어
Fluoroatorvastatin693794-20-6UNII-MOS10V5E5MMOS10V5E5MAtorvastatin calcium trihydrate impurity C [EP](3R,5R)-7-(2,3-Bis(4-fluorophenyl)-5-(1-methylethyl)-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acidDTXSID202194701H-Pyrrole-1-heptanoic acid, 2,3-bis(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-4-((phenylamino)carbonyl)-, (betaR,deltaR)ATORVASTATIN CALCIUM TRIHYDRATE IMPURITY C (EP IMPURITY)ATORVASTATIN CALCIUM TRIHYDRATE IMPURITY C [EP IMPURITY]RefChem:140918DTXCID40141961
이름 더 보기
Atorvastatin imp CAtorvastatin Impurity 157Atorvastatin calcium impurity CATORVASTATIN FXA IMPURITY(ATORVASTATION EPOXYDifluoro Atorvastatin DISCONTINUED. Please see D445645.Atorvastatin FXA Impurity(Atorvastation epoxy pyrrolooxazin 6-hydroxy alog)(βR,δR)-2,3-Βis(4-fluorophenyl)-β,δ-dihydroxy-5-(1-Methylethyl)-4-[(phenylaMino)carbonyl]-1H-pyrrole-1-heptanoic Αcid1H-Pyrrole-1-heptanoic acid, 2,3-bis(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-4-[(phenylamino)carbonyl]-, (βR,δR)-
Atorvastatin calcium trihydrate impurity C1H-PYRROLE-1-HEPTANOIC ACID, 2,3-BIS(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-4-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)Difluoro AtorvastatinAtorvastatin IMpurity C(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid(3R,5R)-7-[2,3-Bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid(3R,5R)-7-(2,3-bis(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid(3R,5R)-7-[2,3-Bis(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
데이터베이스 식별자
- CAS
693794-20-6- PubChem CID
- 10076865
- DTXSID
DTXSID20219470- UNII
- MOS10V5E5M
- EC Number
- 823-242-6
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 855
물리화학적 성질
- 끓는 점
- 720.7 · 720.7±60.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.29 · 4.29±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, 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 CategoriesEye Irrit. 2B (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319
화학 및 산업
응용 분야
용도Atorvastatin impurity.
공급사33 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
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雷丁试剂0510-85629785 18013409632 · [email protected]
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Standardpharm Co. Ltd.86-714-3992388 · [email protected]
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TargetMol中国（陶术生物）15002134094 · [email protected]
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Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
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