(6R,7R)-3-((Acetyloxy)methyl)-7-(((2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
기본 정보
- CAS
63527-53-7- 표준 SMILES
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1- InChIKey
GPRBEKHLDVQUJE-VINNURBNSA-N- 분자식
- C16H17N5O7S2
- 평균 분자량
- 455.5 g/mol
- 단동위원소 질량
- 455.05694025
개요
(6R,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin.
이름 및 식별자
- 우선 이름
- (6R,7R)-3-((Acetyloxy)methyl)-7-(((2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- cefotaxiMe IMpurity D
- 분자식
- C16H17N5O7S2
- 분자량
- 455.47
이름 및 동의어
63527-53-7AnticefotaximeCefotaxime, E-5KTC59K32XR 02-5328ADTXSID501100149RU-253285-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(E)))-(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-((Acetyloxy)methyl)-7-(((2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, [6R-[6alpha,7beta(E)]]-RefChem:1050691
이름 더 보기
cefotaxiMe IMpurity DCefotaxime Impurity D (EP)E-cefotaxime Cefotaxime Impurity DCefotaxime sodium EP 8.0 Impurity D5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 227 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 833
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
Collision Cross Section
194.45 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
196.49 Ų [M+Na]+
화학 및 산업
응용 분야
용도(E)-Cefotaxime is a stereoisomer of Cefotaxime (C242950), a broad spectrum third generation cephalosporin antibiotic.
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