기본 정보
- CAS
56082-95-2- 표준 SMILES
CO[C@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]21- InChIKey
WZOZEZRFJCJXNZ-HOCLYGCPSA-N- 분자식
- C16H17N3O7S2
- 평균 분자량
- 427.5 g/mol
- 단동위원소 질량
- 427.05079224
이름 및 식별자
- 우선 이름
- (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6S,7R)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- cefoxitin
- 분자식
- C16H17N3O7S2
- 분자량
- 427.45
이름 및 동의어
CHEMBL520373Q2JN2A726PSCHEMBL9489250(6S-cis)-3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid56082-95-2(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6S,7R)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6S,7R)-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6S-cis)-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-, (6S-cis)- (9CI)(6S-?cis)?-3-?[[(aminocarbonyl)?oxy]?methyl]?-?7-?methoxy-?8-?oxo-?7-?[(2-?thienylacetyl)?amino]?-?5-?Thia-?1-?azabicyclo[4.2.0]?oct-?2-?ene-?2-?carboxylic acid
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 744
화학 및 산업
공급사2 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
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