기본 정보
- CAS
958001-61-1- 표준 SMILES
CC(C)N=C(NC(C)C)SCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12- InChIKey
QADCFKFWDVDMNO-IUODEOHRSA-N- 분자식
- C17H26N4O5S2
- 평균 분자량
- 430.5 g/mol
- 단동위원소 질량
- 430.13446229
이름 및 식별자
- 우선 이름
- Desacetyl Cefathiamidine
- IUPAC
- (6R,7R)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- Desacetyl CefathiaMidine
- 분자식
- C17H26N4O5S2
- 분자량
- 430.54
이름 및 동의어
Desacetyl Cefathiamidine958001-61-1CEFATHIAMIDINE IMPURITY 10Cefathiamidine Impurity A(6R,7R)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-(Hydroxymethyl)-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid(6R,7R)-7-(2-(((E)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDeacetylcefathiamidineCEFATHIAMIDINEIMPURITY103A3D8U5HN4SCHEMBL29837343F574685
이름 더 보기
Cefathiamidine Impurity 1(Desacetyl Cefathiamidine)(6R,7R)-7-(2-(((E)-N,N'-Diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Cefathiamidine Impurity)Cefathiamidine impurity 2/Desacetyl Cefathiamidine/(6R,7R)-3-(Hydroxymethyl)-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
(6R,7R)-7-(2-(((E)-N,N'-Diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Cefathiamidine Impurity(6R,7R)-7-(2-(((Z)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-((N,N'-diisopropylcarbamimidoyl)thio)acetamido)-3-(hydroxymethyl)-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-(hydroxymethyl)-7-[[2-[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-, (6R,7R)-
데이터베이스 식별자
- CAS
958001-61-1- PubChem CID
- 124584654
- UNII
- 3A3D8U5HN4
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 182 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 녹는점
- 140 · 140-142°C
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 연한 노란색
- 안정성
- 흡습성
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도Desacetyl Cefathiamidine is a derivative of Cefathiamidine (C237550); an antibacterial agent that exhibits a broad spectrum of bactericidal activity against gram-positive bacteria.
공급사20 곳
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