Cismadinone

Base Information

• Chemical Name: Cismadinone
• CAS No.: 54063-31-9
• Molecular Formula: C21H27ClO3
• Molecular Weight: 362.89
• UNII: O00XM1O6TV
• DSSTox Substance ID: DTXSID10968900
• Nikkaji Number: J12.436B
• Wikipedia: Cismadinone
• Wikidata: Q27285136
• NCI Thesaurus Code: C76303
• Metabolomics Workbench ID: 155952
• ChEMBL ID: CHEMBL3989574
• Mol file: 54063-31-9.mol

Synonyms:Cismadinone;Cismadinone [INN];54063-31-9;O00XM1O6TV;Cismadinona;Cismadinonum;UNII-O00XM1O6TV;SCHEMBL2111096;CHEMBL3989574;DTXSID10968900;Q27285136;6alpha-Chloro-17-hydroxypregna-1,4-diene-3,20-dione;(6alpha)-6-Chloro-17-hydroxypregna-1,4-diene-3,20-dione;6 alpha-Chloro-17-hydroxypregna-1,4-diene-3,20-dione.;6.ALPHA.-CHLORO-17-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE

Chemical Property of Cismadinone

Chemical Property:

• Vapor Pressure: 4.07E-11mmHg at 25°C
• Boiling Point: 520.6°Cat760mmHg
• Flash Point: 268.6°C
• PSA: 54.37000
• Density: 1.24g/cm³
• LogP: 3.83170
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 362.1648724
• Heavy Atom Count: 25
• Complexity: 710

Purity/Quality:

CISMADINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CC(C4=CC(=O)C=CC34C)Cl)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)O