Efegatran

Base Information

• Chemical Name: Efegatran
• CAS No.: 105806-65-3
• Molecular Formula: C21H32 N6 O3
• Molecular Weight: 416.523
• UNII: VT0VK2474K
• DSSTox Substance ID: DTXSID20909748
• Nikkaji Number: J545.097G
• Wikidata: Q27292007
• NCI Thesaurus Code: C72749
• ChEMBL ID: CHEMBL273196
• Mol file: 105806-65-3.mol

Synonyms:D-methyl-phenylalanyl-prolyl-arginal;efegatran;efegatran sulfate;GYKI 14766;GYKI-14766;LY 294468;LY-294468;Me-Phe-Pro-Arg-H

Chemical Property of Efegatran

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 140.41000
• Density: 1.29g/cm³
• LogP: 1.66570
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 416.25358890
• Heavy Atom Count: 30
• Complexity: 602

Purity/Quality:

Efegatran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C=O
• Isomeric SMILES: CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C=O
• Uses: Antithrombotic.

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