6,6-디브로모페니실란산

6,6-Dibromopenicillanic acid

HCID 90376CAS 24158-88-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O
InChIKey: YLGIIVBDSLVWDR-BBIVZNJYSA-N
분자식: C8H9Br2NO3S
평균 분자량: 359.04 g/mol
단동위원소 질량: 356.86698835

이름 및 식별자

우선 이름: 6,6-Dibromopenicillanic acid
IUPAC: (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
현지명: 6,6-디브로모페니실란산
영어명: 6,6-DIBROMOPENICILLANIC ACID
분자식: C8H9Br2NO3S
분자량: 359.04

이름 및 동의어

6,6-Dibromopenicillanic acid24158-88-1(2s,5r)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidEINECS 246-046-7UNII-6BK42Q43046BK42Q4304DTXSID70178861SULBACTAM SODIUM IMPURITY F [EP IMPURITY](2S,5R)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S,5R)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, (2S-CIS)-SULBACTAM SODIUM IMPURITY F (EP IMPURITY)

이름 더 보기

6,6-디브로모페니실란산SulbactaM Related CoMpound FSulbactam RC Impurity-FSulbactam Sodium Impurity FSulbactam Sodium EP Impurity FSulbactam USP Related Compound FSulbactam Related Compound F / EP Impurity F

RefChem:103757DTXCID30101352246-046-7Sulbactam EP Impurity F(2S-cis)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid(2S-cis)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (6,6-Dibromopenicillanic Acid)Sulbactam EP Imp F

데이터베이스 식별자

CAS: 24158-88-1
PubChem CID: 90376
DTXSID: DTXSID70178861
UNII: 6BK42Q4304
EC Number: 246-046-7
Nikkaji: J287.171H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 82.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 358

물리화학적 성질

녹는점: 142 · 142-145 °C
끓는 점: 476.6 · 476.6±45.0 °C(Predicted)
밀도: 2.17 · 2.17±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.43 · 2.43±0.50(Predicted)
주요 응용: 제약
InChI: 1S/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1
InChIKey: YLGIIVBDSLVWDR-BBIVZNJYSA-N
SMILES: S1[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)C2(Br)Br