7-Aminodeacetoxycephalosporanic acid

HCID 33498CAS 22252-43-3

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Grundinformationen

Standard-SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
InChIKey: NVIAYEIXYQCDAN-CLZZGJSISA-N
Summenformel: C8H10N2O3S
Durchschnittliche Molmasse: 214,24 g/mol
Monoisotopische Masse: 214,04121336

Namen und Bezeichner

Bevorzugter Name: 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

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,1
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 352

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.