Demethylonapristone

Base Information

• Chemical Name: Demethylonapristone
• CAS No.: 120144-15-2
• Molecular Formula: C28H37 N O3
• Molecular Weight: 435.5983
• DSSTox Substance ID: DTXSID40152698
• Nikkaji Number: J352.698D
• Wikidata: Q83019408
• Mol file: 120144-15-2.mol

Synonyms:11 beta-(4-methylaminophenyl)-17 alpha-hydroxy-17 beta-(3-hydroxypropyl)-13 alpha-methyl-4,9,(10)-gonadien-3-one;demethylonapristone;desmethylonapristone;ZK 115716;ZK-115716

Chemical Property of Demethylonapristone

Chemical Property:

• Vapor Pressure: 4.48E-18mmHg at 25°C
• Boiling Point: 655.5°Cat760mmHg
• Flash Point: 350.2°C
• PSA: 69.56000
• Density: 1.2g/cm³
• LogP: 5.20440
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 435.27734404
• Heavy Atom Count: 32
• Complexity: 808

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)NC
• Isomeric SMILES: C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)NC

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