Piquindone hydrochloride

Base Information

• Chemical Name: Piquindone hydrochloride
• CAS No.: 75689-38-2
• Deprecated CAS: 78541-98-7
• Molecular Formula: C15H23ClN2O
• Molecular Weight: 282.8089
• UNII: U94K2VY961
• ChEMBL ID: CHEMBL542782
• NCI Thesaurus Code: C166760
• Wikidata: Q27290939

Synonyms:2,6-dimethyl-3-ethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one;3-ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-4a,8a-1H-pyrrolo(2,3g)isoquinolin-4-one;piquindone;Ro 22-1319;Ro 22-1319 hydrochloride, (4aR-trans)-isomer;Ro 22-1319 hydrochloride, (4aS-trans)-isomer;Ro 22-1319 hydrochloride, (trans(+-))-isomer;Ro 22-1319, (4aS-trans)-isomer;Ro 22-1319, (cis-(+-))-isomer;Ro 22-1319, (trans-(-))-isomer;Ro 22-2586;Ro-22-1319;Ro-22-2586

Chemical Property of Piquindone hydrochloride

Chemical Property:

• Vapor Pressure: 3.14E-07mmHg at 25°C
• Boiling Point: 419°Cat760mmHg
• Flash Point: 207.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 282.1498911
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(NC2=C1C(=O)C3CN(CCC3C2)C)C.Cl
• Isomeric SMILES: CCC1=C(NC2=C1C(=O)[C@@H]3CN(CC[C@H]3C2)C)C.Cl

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