4-티아-1-아자비시클로[3.2.0]헵탄-2-카르복실산,6-브로모-3,3-디메틸-7-옥소-,디페닐메틸에스테르,4-옥사이드,(2S,5R,6S)-

(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

HCID 10551995CAS 80353-26-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](Br)[C@H]2S1=O
InChIKey: MHQYJIDSSLKVOK-OCZDZXRVSA-N
분자식: C21H20BrNO4S
평균 분자량: 462.4 g/mol
단동위원소 질량: 461.02964122

이름 및 식별자

우선 이름: (2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
IUPAC: benzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
현지명: 4-티아-1-아자비시클로[3.2.0]헵탄-2-카르복실산,6-브로모-3,3-디메틸-7-옥소-,디페닐메틸에스테르,4-옥사이드,(2S,5R,6S)-
영어명: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide, (2S,5R,6S)-
분자식: C21H20BrNO4S
분자량: 462.36

이름 및 동의어

80353-26-0(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideTazobactam Impurity YBenzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(2S,5R,6S)-6-BROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER, 4-OXIDEbenzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideC21H20BrNO4SMFCD20040382DTXSID20441618MFCD21608586AKOS016007047BS-49672

이름 더 보기

4-티아-1-아자비시클로[3.2.0]헵탄-2-카르복실산,6-브로모-3,3-디메틸-7-옥소-,디페닐메틸에스테르,4-옥사이드,(2S,5R,6S)-Tazobactam Impurity 34TazobactamAcidImpurity40Tazobactam Acid Impurity 226α-bromopenicillan-3α-carboxylic acid diphenylmethyl ester-1β-oxide

SY283663DB-075675CS-0153885D947956alpha-bromopenicillan-3alpha-carboxylic acid diphenylmethyl ester-1beta-oxide(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyla(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(2S,5R,6S)-Benzhydryl6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate4-oxide

데이터베이스 식별자

CAS: 80353-26-0
PubChem CID: 10551995
DTXSID: DTXSID20441618
Nikkaji: J779.351K

물성

구조 계산 물성

XLogP: 3
극성 표면적: 82.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 639

물리화학적 성질

끓는 점: 629.1 · 629.1±55.0 °C(Predicted)
밀도: 1.58 · 1.58±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 디클로로메탄에 용해됨
산도 계수 (pKa): -6.06 · -6.06±0.70(Predicted)
물리적 상태: 고체
색상: 회백색

화학 및 산업

공급사29 곳

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연결된 노트

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