Efepristin

Base Information

• Chemical Name: Efepristin
• CAS No.: 57206-54-9
• Molecular Formula: C44H52 N8 O10
• Molecular Weight: 852.93
• UNII: 69RU1K50ZP
• NCI Thesaurus Code: C166920
• ChEMBL ID: CHEMBL2105803
• Mol file: 57206-54-9.mol

Synonyms:Efepristin;Efepristin [INN];Pristinamycin IB;Ostreogrycin b2;Vernamycin b.beta.;UNII-69RU1K50ZP;57206-54-9;69RU1K50ZP;N-[(3S,6S,12R,15S,16R,19S,22S)-12-ethyl-4,16-dimethyl-3-[[4-(methylamino)phenyl]methyl]-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;C44H52N8O10;C44-H52-N8-O10;SCHEMBL1229116;CHEMBL2105803;VERNAMYCIN B.BETA. [MI];Q27264377;VIRGINIAMYCIN S1, 4-(N-METHYL-4-(METHYLAMINO)-L-PHENYLALANINE)-;N-((3-HYDROXY-2-PYRIDINYL)CARBONYL)-L-THREONYL-D-.ALPHA.-AMINOBUTYRYL-L-PROLYL-N-METHYL-4-(METHYLAMINO)-L-PHENYLALANYL-4-OXO-L-PIPECOLOYL-L-2-PHENYLGLYCINE .RHO.-LACTONE;N-((6R,9S,10R,13S,15aS,22S,24aS)-6-Ethyldocosahydro-10,23-dimethyl-22-(p-(methylamino)benzyl)-5,8,12,15,17,21,24-heptaoxo-13-phenyl-12H-pyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,10,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypicolinamide;N-((6R,9S,10R,13S,15aS,22S,24as)-6-Ethyldocosahydro-10,23-dimethyl-22-(p-(methylamino)benzyl)-5,8,12,15,17,21,24-heptaoxo-13-phenyl-12H-pyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypicolinamide.

Chemical Property of Efepristin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1213.6°C at 760 mmHg
• Flash Point: 687.8°C
• PSA: 247.22000
• Density: 1.39g/cm³
• LogP: 2.25900
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 852.38063989
• Heavy Atom Count: 62
• Complexity: 1670

Purity/Quality:

95% ^*data from raw suppliers

4-[N-METHYL-4-(METHYLAMINO)-L-PHENYLALANINE]VIRGINIAMYCIN S1 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)NC)C
• Isomeric SMILES: CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)NC)C

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