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colchicine

colchicine

CAS: 64-86-8

Formula: C22H25NO6

SMILES: COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O

IUPAC: N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide

InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

Composition: C (66.15%), H (6.31%), N (3.51%), O (24.03%)

Molar Mass: 399.443

Atom Count: 54

Heavy Atom Count: 29

Properties
Properties
Common Names (S)-colchicine; 7alphah-colchicine; colchicin; colchicina; colchicine; colchicine, its salts and derivatives; colchicinum
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 399.168187529
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey IAKHMKGGTNLKSZ-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.38
Topological Polar Surface Area 83.09
Polarizability 41.64
Ring Count 3
Rotatable Bond Count 5

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99% <10 Days 64-86-8 Quote Only