BIAdb Trimethylcolchicinic acid methyl ether 3450

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BIAdb Trimethylcolchicinic acid methyl ether 3450
Systematic (IUPAC) name
(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; 2,3-dihydroxybutanedioic acid
Identifiers
CAS number	?
ATC code	?
PubChem	34084
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	?

Description

N/A

Unknown

*Molecular Weight

507.48716

*Exact Mass

507.174061

*Molecular Formula

C₂₄H₂₉NO₁₁

*IUPAC NAME

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

*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(C(C(=O)O)O)(C(=O)O)O

*XLogP

N/A

*Hydrogen bond donor

5

*Hydrogen bond acceptor

12

*Rotational Bond Count

7

*Topological Polar Surface Area

195