Trimethylcolchicinic acid methyl ether

(Difference between revisions)

Revision as of 05:24, 23 April 2009

Trimethylcolchicinic acid methyl ether
Systematic (IUPAC) name
(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; (2R,3R)-2,3-dihydroxybutanedioicacid
Identifiers
CAS number	?
ATC code	?
PubChem	84053
Chemical data
Formula	C₂₄H₂₉NO₁₁
Mol. mass	507.48716
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

RN given refers to (S)-isomer; synonyms NSC-36354 and TMCA refers to tartrate [1:1]

*Molecular Weight

507.48716

*Molecular Formula

C₂₄H₂₉NO₁₁

*IUPAC NAME

(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; (2R,3R)-2,3-dihydroxybutanedioicacid

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O

*Isomeric Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

*XLogP

N/A

*Topological Polar Surface Area

195