기본 정보
- CAS
85573-73-5- 표준 SMILES
C[C@@]1(CCl)S[C@@H]2CC(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1- InChIKey
JCCKXLWAWRUWBK-LMNJBCLMSA-N- 분자식
- C21H20ClNO3S
- 평균 분자량
- 401.9 g/mol
이름 및 식별자
- 우선 이름
- Tazobactam RC 6
- IUPAC
- benzhydryl (2S,3R,5R)-3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- 영어명
- (2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester
- 분자식
- C21H20ClNO3S
- 분자량
- 401.91
이름 및 동의어
85573-73-5Tazobactam RC 6N3FZV4ADG6Benzhydryl (2S,3R,5R)-3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(2S,3R,5R)-Benzhydryl 3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(chloromethyl)-3-methyl-7-oxo-, diphenylmethyl ester, (2S,3R,5R)-Diphenylmethyl (2S,3R,5R)-3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate[2S-(2?,3?,5?)]-3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl EsterUNII-N3FZV4ADG6SCHEMBL3287804(2S,5R)-3alpha-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid benzhydryl ester(2S,3R,5R)-Benzhydryl3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
이름 더 보기
Tazobactam chlorideTazobactam Acid Impurity 34Tazobactam Acid Impurity 16(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester2S-(2α,3β,5α)]-3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(chloromethyl)-3-methyl-7-oxo-, diphenylmethyl ester, (2S,3R,5R)-
데이터베이스 식별자
- CAS
85573-73-5- PubChem CID
- 13279731
- UNII
- N3FZV4ADG6
- Nikkaji
- J381.672I
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 71.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 558
물리화학적 성질
- 끓는 점
- 565.1 · 565.1±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.84 · -3.84±0.60(Predicted)
화학 및 산업
응용 분야
용도[2S-(2α,3β,5α)]-3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester is an intermediate used in the synthesis of Tazobactam Sodium Salt-15N3 (T010103), which is a β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.
공급사22 곳
济南百隆化学有限公司[email protected] · [email protected]
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广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
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