Rosibiline; 16-Epimer

AlkaPlorer ID: AK312696

Synonym: Isorosibiline

IUPAC Name: None

Structure

SMILES: C/C=C1/CN2CCC34C5=CC=CC=C5N5COCC(C1CC23)C54

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InChI: InChI=1S/C20H24N2O/c1-2-13-10-21-8-7-20-16-5-3-4-6-17(16)22-12-23-11-15(19(20)22)14(13)9-18(20)21/h2-6,14-15,18-19H,7-12H2,1H3/b13-2-

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InChIKey: ACLXALRUPZZRNK-SILLCRNTSA-N

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Reference

CAS: 55969-04-5

Source

Properties Information

Molecule Weight: 308.425

TPSA: 15.71

MolLogP: 2.771000000000001

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information