기본 정보
- CAS
146794-70-9- 표준 SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(C)(C)C)[C@H]2SC1- InChIKey
JLNXDMISSHNIAD-GMSGAONNSA-N- 분자식
- C13H18N2O4S
- 평균 분자량
- 298.36 g/mol
- 단동위원소 질량
- 298.09872823
이름 및 식별자
- 우선 이름
- N-Pivaloyl 7-aminodesacetoxycephalosporanic acid
- IUPAC
- (6R,7R)-7-(2,2-dimethylpropanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- (6R-trans)-7-[(2,2-diMethyl-1-oxopropyl)aMino]-3-Methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-
- 분자식
- C13H18N2O4S
- 분자량
- 298.36
이름 및 동의어
146794-70-97-ADCA PivalamideN-Pivaloyl 7-aminodesacetoxycephalosporanic acidMDO0VUD5WQ(6R,7R)-7-(2,2-dimethylpropanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-((2,2-Dimethylpropanoyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(2,2-DIMETHYLPROPANAMIDO)-3-METHYL-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, 7-((2,2-dimethyl-1-oxopropyl)amino)-3-methyl-8-oxo-, (6R,7R)-5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2,2-dimethyl-1-oxopropyl)amino)-3-methyl-8-oxo-, (6R-trans)-(6R,7R)-7-[(2,2-Dimethylpropanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidUNII-MDO0VUD5WQ(6R,7R)-7-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
이름 더 보기
Cefadroxil EP Impurity HCefalexin-EP-Imp-ECefradine Impurity GCefalexin impurity ECephalexin IMpurity E
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 521
물리화학적 성질
- 녹는점
- 171 °C · >171°C (dec.)
- 끓는 점
- 617.1 · 617.1±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 3.13 · 3.13±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도7-ADCA Pivalamide is an impurity of the semi-synthetic antibiotic Cephalexin (C256800) as well as its hydroxy analogue Cefadroxil (C235750).
공급사69 곳
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