Isopenicillin N

HCID 440723CAS 58678-43-6

기본 정보

표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O
InChIKey
MIFYHUACUWQUKT-GTQWGBSQSA-N
분자식
C14H21N3O6S
평균 분자량
359.4 g/mol
단동위원소 질량
359.11510639

개요

Isopenicillin N is a penicillin. It is a conjugate acid of an isopenicillin N(1-).

이름 및 식별자

우선 이름
Isopenicillin N
IUPAC
(2S,5R,6R)-6-[[(5S)-5-amino-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
영어명
Cefmenoxime Impurity 41
분자식
C14H21N3O6S
분자량
359.4

이름 및 동의어

Isopenicillin N58678-43-6CHEBI:18165DTXSID303315166beta-[(5S)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid6beta-((5S)-5-amino-5-carboxypentanamido)-2,2-dimethylpenam-3alpha-carboxylic acid(2S,5R,6R)-6-(((5S)-5-amino-5-carboxypentanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid(2S,5R,6R)-6-[[(5S)-5-amino-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidRefChem:149702DTXCID30282610Isopenicilline N
이름 더 보기
Penicillin G Impurity 29Penicillin Impurity 10 (Isopenicillin N)4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(5S)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
(2S,5R,6R)-6-[(5S)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIP1IsopenicillineNPenicillin MBenzylpenicillin Impurity 29SCHEMBL29573469MIFYHUACUWQUKT-GTQWGBSQSA-NDB03550

데이터베이스 식별자

CAS
58678-43-6
PubChem CID
440723
DTXSID
DTXSID30331516
ChEBI
CHEBI:18165
Nikkaji
J480.698K

물성

구조 계산 물성

XLogP
-2.5
극성 표면적
175 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
24

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점
739.2 · 739.2±60.0 °C(Predicted)
밀도
1.5 · 1.50±0.1 g/cm3(Predicted)
산도 계수 (pKa)
2.45 · 2.45±0.50(Predicted)

화학 및 산업

공급사4 곳

济南百隆化学有限公司[email protected] · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]

관련 반응

9건

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