11-(4-Dimethylaminophenyl)-6-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3H)-furan)-3-one

Base Information

• Chemical Name: 11-(4-Dimethylaminophenyl)-6-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3H)-furan)-3-one
• CAS No.: 118968-41-5
• Molecular Formula: C30H39 N O2
• Molecular Weight: 445.6362
• UNII: X2V3MG6PE8
• DSSTox Substance ID: DTXSID70922821
• Nikkaji Number: J506.549F
• Wikidata: Q82896551
• Metabolomics Workbench ID: 155556
• ChEMBL ID: CHEMBL460258
• Mol file: 118968-41-5.mol

Synonyms:11-(4-dimethylaminophenyl)-6-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3H)-furan)-3-one;Org 31710;Org-31710;Spiro(estra-4,9-diene-17,2'(3'H)-furan)-3-one, 11-(4-(dimethylamino)phenyl)-4',5'-dihydro-6-methyl-, (6beta,11beta,17beta)-

Chemical Property of 11-(4-Dimethylaminophenyl)-6-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3H)-furan)-3-one

Chemical Property:

• Boiling Point: 624.4°Cat760mmHg
• Flash Point: 331.4°C
• Density: 1.15g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 445.298079487
• Heavy Atom Count: 33
• Complexity: 878

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC4(C3(CC(C2=C5C1=CC(=O)CC5)C6=CC=C(C=C6)N(C)C)C)CCCO4
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CC[C@]4([C@]3(C[C@@H](C2=C5C1=CC(=O)CC5)C6=CC=C(C=C6)N(C)C)C)CCCO4

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