7-Aminodeacetoxycephalosporanic acid

HCID 33498CAS 22252-43-3

기본 정보

표준 SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
InChIKey: NVIAYEIXYQCDAN-CLZZGJSISA-N
분자식: C8H10N2O3S
평균 분자량: 214.24 g/mol
단동위원소 질량: 214.04121336

이름 및 식별자

우선 이름: 7-Aminodeacetoxycephalosporanic acid
IUPAC: (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

이름 및 동의어

22252-43-37-aminodesacetoxycephalosporanic acid7-ADCA7-aminodeacetoxycephalosporanic acid7-amino-3-methyl-3-cephem-4-carboxylic acidANM3MSM8TNDTXSID40576873-methyl-7-aminoceph-3-em-4-carboxylic acid7beta-amino-3-methylceph-3-em-4-carboxylic acidDTXCID50314763-methyl-7-amino-Delta3-cephem-4-carboxylic acidRefChem:105793

이름 더 보기

7-desacetoxyaminocephalosporanic acid244-870-1(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCephalexin Impurity B7beta-aminodeacetoxycephalosporanic acid7beta-amino-3-methyl-3-cephem-4-carboxylic acid7-amino-3-methylceph-3-em-4-carboxylic acid3-methyl-7beta-aminoceph-3-em-4-carboxylic acid

데이터베이스 식별자

CAS: 22252-43-3、26395-99-3、70287-30-8
PubChem CID: 33498
DTXSID: DTXSID4057687
ChEMBL: CHEMBL3182744
ChEBI: CHEBI:64984
UNII: ANM3MSM8TN
EC Number: 244-870-1、274-535-5
Nikkaji: J94.619B

물성

구조 계산 물성

XLogP: -3.1
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 352

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 8.6% (5 of 58) of reports.

Danger

H317 (87.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (87.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 58 reports by companies.；There are 4 notifications provided by 53 of 58 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.