Cefatrizine propylene glycolate

Base Information

• Chemical Name: Cefatrizine propylene glycolate
• CAS No.: 64217-62-5
• Molecular Formula: C21H26N6O7S2
• Molecular Weight: 538.6
• European Community (EC) Number: 260-642-4
• UNII: 3731IA5GI9
• DSSTox Substance ID: DTXSID00972733
• Wikidata: Q27166602
• NCI Thesaurus Code: C98215
• ChEMBL ID: CHEMBL3115472
• Mol file: 64217-62-5.mol

Synonyms:Cefatrizine propylene glycolate;CEFATRIZINE PROPYLENE GLYCOL;64217-62-5;Cefatrizine compd with propylene glycol;Propyleneglycol-cefatrizine;EINECS 260-642-4;57235-40-2;UNII-3731IA5GI9;Cefatrizine-propyleneglycol;3731IA5GI9;(6R-(6alpha,7beta(R*)))-7-((Amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, compound with propane-1,2-diol;C18H18N6O5S2.C3H8O2;C18-H18-N6-O5-S2.C3-H8-O2;Orotric;Seapuron;Seapuron (TN);[6R-[6alpha,7beta(R*)]]-7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, compound with propane-1,2-diol;SEAPURO;(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;propane-1,2-diol;SCHEMBL1442370;CHEMBL3115472;CHEBI:94838;DTXSID00972733;HMS2051M06;CEFATRIZINE PROPYLENEGLYCOLATE;C18H18N6O5S2.xC3H8O2;CCG-100845;NC00095;Propylene glycolate cefatrizine (JP17);PD003061;CEFATRIZINE PROPYLENE GLYCOL [MART.];CEFATRIZINE PROPYLENEGLYCOLATE [WHO-DD];D02711;C18-H18-N6-O5-S2.x-C3-H8-O2;CEFATRIZINE PROPYLENE GLYCOL [EP IMPURITY];CEFATRIZINE PROPYLENE GLYCOL [EP MONOGRAPH];CEFATRIZINE COMPD WITH PROPYLENE GLYCOL [MI];BRD-M47937986-001-01-7;Q27166602;7-{[2-Amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--propane-1,2-diol (1/1)

Chemical Property of Cefatrizine propylene glycolate

Chemical Property:

• Boiling Point: 1027.5oC at 760 mmHg
• Flash Point: 575.2oC
• PSA: 265.59000
• LogP: 0.43120
• Solubility.: Slightly soluble in water, practically insoluble in ethanol (96 per cent) and in methylene chloride.
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 538.13043954
• Heavy Atom Count: 36
• Complexity: 795

Purity/Quality:

99% ^*data from raw suppliers

Cefatrizine1,2-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)O.C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4
• Isomeric SMILES: CC(CO)O.C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4
• Uses: Cefatrizine 1,2-propanediol is the salt analogue of Cefatrizine (C237575), a new orally administered cephalosporin with excellent activity against gram-positive cocci.