데스아세틸글루타릴7-아미노세팔로스포란산

(6R,7R)-7-((4-Carboxy-1-oxobutyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

HCID 6453255
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기본 정보

CAS
55779-10-7
표준 SMILES
O=C(O)CCCC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12
InChIKey
GRQXHIBWEUNUHL-BXKDBHETSA-N
분자식
C13H16N2O7S
평균 분자량
344.34 g/mol
단동위원소 질량
344.06782185

개요

structure given in first source; RN given refers to the (6R-trans)-isomer

이름 및 식별자

우선 이름
(6R,7R)-7-((4-Carboxy-1-oxobutyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
IUPAC
(6R,7R)-7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
현지명
데스아세틸글루타릴7-아미노세팔로스포란산
영어명
desacetyl glutaryl 7-aminocephalosporanic acid
분자식
C13H16N2O7S
분자량
344.34

이름 및 동의어

Desacetyl glutaryl 7-aminocephalosporanic acid55779-10-7D-7-AcaDesacetyl glutaryl 7-acaDTXSID30204337RefChem:906260DTXCID30126828(6R,7R)-7-((4-Carboxy-1-oxobutyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(4-CARBOXYBUTANAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((4-carboxy-1-oxobutyl)amino)-3-(hydroxymethyl)-8-oxo-, (6R-trans)-desacetyl glutaryl 7ACACeftobiprole Impurity 37
이름 더 보기
데스아세틸글루타릴7-아미노세팔로스포란산desacetylglutaryl7-aminocephalosporanic(6R,7R)-7-(4-carboxybutanoylamino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(4-carboxy-1-oxobutyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-
SCHEMBL7034181GRQXHIBWEUNUHL-BXKDBHETSA-N

데이터베이스 식별자

CAS
55779-10-7
PubChem CID
6453255
DTXSID
DTXSID30204337
Nikkaji
J573.320K

물성

구조 계산 물성

XLogP
-2.3
극성 표면적
170 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
23

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