기본 정보
- CAS
22561-27-9- 표준 SMILES
C[N+]1(C)CCN(C(=S)SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cc4cccc(Cl)c4)[C@H]3SC2)CC1- InChIKey
ZWTPTPWLMRXLJE-WIYYLYMNSA-N- 분자식
- C23H27ClN4O4S3
- 평균 분자량
- 555.1 g/mol
- 단동위원소 질량
- 554.0882966
개요
structure
이름 및 식별자
- 우선 이름
- Cephachlomezine
- IUPAC
- (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate
- 분자식
- C23H27ClN4O4S3
- 분자량
- 555.141
이름 및 동의어
Cephachlomezinecefaclomezine22561-27-97PHG6N6UM87-(m-Chlorophenylacetamido)-3-(4,4-dimethylpiperazinium-1-thiocarbonyl-thiomethyl)-3-cephem-4-carboxylateRefChem:124363UNII-7PHG6N6UM8SCHEMBL29382713DTXSID30945213Q27268681(6R,7R)-7-[[2-(3-CHLOROPHENYL)ACETYL]AMINO]-3-[(4,4-DIMETHYL2,3,5,6-TE TRAHYDROPYRAZINE-1-CARBOTHIOYL)SULFANYLMETHYL]-8-OXO-5-THIA-1-AZABICYC LO[4.2.0]OCT-2-ENE-2-CARBOXYLATE(6R,7R)-7-{[2-(3-Chlorophenyl)-1-hydroxyethylidene]amino}-3-{[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
이름 더 보기
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(2-(M-CHLOROPHENYL)ACETAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-, ESTER WITH 4-(DITHIOCARBOXY)-1,1-DIMETHYLPIPERAZINIUM HYDROXIDE, INNER SALT7-{[2-(3-Chlorophenyl)-1-hydroxyethylidene]amino}-3-{[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatePIPERAZINIUM, 4-(((((6R,7R)-2-CARBOXY-7-(((3-CHLOROPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)THIO)THIOXOMETHYL)-1,1-DIMETHYL-, INNER SALTPIPERAZINIUM, 4-((((2-CARBOXY-7-(((3-CHLOROPHENYL)ACETYL)AMINO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)THIO)THIOXOMETHYL)-1,1-DIMETHYL-, INNER SALTPIPERAZINIUM, 4-(DITHIOCARBOXY)-1,1-DIMETHYL-, HYDROXIDE, ESTER WITH 7-(2-(M-CHLOROPHENYL)ACETAMIDO)-3-(MERCAPTOMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, INNER SALT
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 915
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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