Compound Selection

Formula: C21H23NO6

MW: 385.42

CAS: 477-27-0

TNP NUMBER: TNP00282

MDL NUMBER: MFCD02169932

IUPAC: N-((7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7-trihydrobenzo[d]heptalen-7-yl) acetamide

Smiles: c12c(cc(=O)c(cc2)O)[C@@H](NC(=O)C)CCc2c1c(c(OC)c(c2)OC)OC

THERAPEUTIC CATEGORY: Gout supressant. Treatment of Familial mediterranean fever

VET THERAP CATEGORY: Antineoplastic

SOURCE: A major alkaloid of Colchicum autumnale L., Liliaceae

ACCEPTORS: 6

DONORS: 2

ROTATION BONDS: 4

N+O: 7

Chiral Centers: 1

LogP: 2.49

LogS: -4.31

LIPINSKI: 4

Monograph Number: 0002495

Title: Colchiceine

CAS Registry Number: 477-27-0

CAS Name: N-[(7S)-5,6,7,9-Tetrahydro-10-hydroxy-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide

Additional Names: 7-acetamido-10-hydroxy-1,2,3-trimethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one

Molecular Formula: C21H23NO6

Molecular Weight: 385.41.

Percent Composition: C 65.44%, H 6.02%, N 3.63%, O 24.91%

Literature References: Deriv of colchicine, q.v., isolated from Colchicum autumnale L., Liliaceae: Santavy, Mac

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