Rofleponide

Base Information

• Chemical Name: Rofleponide
• CAS No.: 144459-70-1
• Molecular Formula: C₂₅H₃₄F₂O₆
• Molecular Weight: 468.538
• UNII: R9IQ7GVL3E
• DSSTox Substance ID: DTXSID601318252
• Nikkaji Number: J922.869A
• Wikipedia: Rofleponide
• Wikidata: Q27288011
• NCI Thesaurus Code: C77006
• ChEMBL ID: CHEMBL3989639
• Mol file: 144459-70-1.mol

Synonyms:Rofleponide;144459-70-1;Rofleponide [INN];UNII-R9IQ7GVL3E;R9IQ7GVL3E;(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one;SCHEMBL74762;CHEMBL3989639;C25H34F2O6;DTXSID601318252;AKOS040753808;C25-H34-F2-O6;Q27288011;(2S,6aS,6bR,7S,8aS,8bS,10R,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-1,2,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one;6 alpha, 9-Difluoro-11 beta, 16 alpha, 17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic (R)-16,17-acetal with butyraldehyde.;6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic (R)-16,17-acetal with butyraldehyde

Chemical Property of Rofleponide

Chemical Property:

• Vapor Pressure: 9.62E-17mmHg at 25°C
• Boiling Point: 597°Cat760mmHg
• Flash Point: 314.9°C
• PSA: 93.06000
• Density: 1.32g/cm³
• LogP: 2.98090
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 468.23234512
• Heavy Atom Count: 33
• Complexity: 907

Purity/Quality:

ROFLEPONIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1OC2CC3C4CC(C5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F
• Isomeric SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)CC[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)F)C)F