기본 정보
- CAS
75524-31-1- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)c3c(-c4c(F)cccc4Cl)noc3CO)C(=O)N2[C@H]1C(=O)O- InChIKey
ZUBWLMQDPXVIGD-JKIFEVAISA-N- 분자식
- C19H17ClFN3O6S
- 평균 분자량
- 469.9 g/mol
- 단동위원소 질량
- 469.0510623
개요
major metabolite of floxacillin; RN given for (2S-(2alpha,5alpha,6beta))-isomer
이름 및 식별자
- 우선 이름
- 5-Hydroxymethylflucloxacillin
- IUPAC
- (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 현지명
- 5-히드록시메틸플루크록사실린
- 영어명
- 5-Hydroxymethyl Flucloxacillin
- 분자식
- C19H17ClFN3O6S
- 분자량
- 469.87
이름 및 동의어
5-Hydroxymethylflucloxacillin75524-31-1RefChem:1029135-Hydroxymethyl Flucloxacillin(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-(3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)isoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidDTXSID7013648584-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2alpha,5alpha,6beta)]-MS6B64AGE9(2S,5R,6R)-6-[[[3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid6-(((3-(2-Chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta))-
이름 더 보기
5-히드록시메틸플루크록사실린5-HydroxyMethyl Flucloxacillin DISCONTINUED
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
데이터베이스 식별자
- CAS
75524-31-1- PubChem CID
- 64708
- DTXSID
DTXSID701364858- UNII
- MS6B64AGE9
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 775
화학 및 산업
공급사7 곳
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