Penicillanic Acid

HCID 6891CAS 87-53-6

기본 정보

표준 SMILES: CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)O
InChIKey: RBKMMJSQKNKNEV-RITPCOANSA-N
분자식: C8H11NO3S
평균 분자량: 201.25 g/mol
단동위원소 질량: 201.04596421

개요

Penicillanic acid is a penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration.

이름 및 식별자

우선 이름: Penicillanic Acid
IUPAC: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
영어명: (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
분자식: C8H11NO3S
분자량: 201.24

이름 및 동의어

PENICILLANIC ACID87-53-6PIS09H0QIXAcid, Penicillanic2,2-dimethylpenam-3alpha-carboxylic acidCHEBI:37806DTXSID902360384-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, (2S-cis)-(2S-cis)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidRefChem:170886DTXCID90158529201-750-3

이름 더 보기

penicillanicaci(2S,5β)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid(2S-cis)-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, 3,3-dimethyl-7-oxo-, (2S,5R)-

(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidPenicillansaureSulbactam Impurity 9EINECS 201-750-3UNII-PIS09H0QIXSCHEMBL462651PENICILLANIC ACID [MI]CHEMBL325758

데이터베이스 식별자

CAS: 87-53-6
PubChem CID: 6891
DTXSID: DTXSID90236038
ChEMBL: CHEMBL325758
ChEBI: CHEBI:37806
UNII: PIS09H0QIX
EC Number: 201-750-3
Nikkaji: J192.646B

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 82.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 289

물리화학적 성질

녹는점: 208 · 208-209 °C
끓는 점: 423.8 · 423.8±45.0 °C(Predicted)
밀도: 1.46 · 1.46±0.1 g/cm3(Predicted)
용해도: 물에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.43 · 2.43±0.50(Predicted)
색상: 회색

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.

상·하류 제품 정보

상류 원료

Sulbactam Impurity 13 [2S-(2alpha,5alpha,6alpha)]-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 6,6-디브로모페니실란산 6-아미노페니실란 산 염화옥살릴

하류 제품

브로박탐 6β-Phthalimidopenicillanic Acid

공급사17 곳

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

南京望知星医药科技有限公司18569809817 · [email protected]

Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

BOC Sciences16314854226 · [email protected]

추가 설명

정의ChEBI: A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration.