O2-Demethylcolchicine acetate (ester)

(Difference between revisions)

Current revision

O2-Demethylcolchicine acetate (ester)
Systematic (IUPAC) name
[(7S)-7-acetamido-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl] acetate
Identifiers
CAS number	?
ATC code	?
PubChem	84038
ChemSpider	75826
Chemical data
Formula	C₂₃H₂₅NO₇
Mol. mass	427.4471
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

427.4471

*Molecular Formula

C₂₃H₂₅NO₇

*IUPAC NAME

[(7S)-7-acetamido-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl] acetate

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC

*Isomeric Smiles

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC

*XLogP

1.4

*Topological Polar Surface Area

100

@@ Line 8: / Line 8: @@
 | PubChem           = 84038
 | DrugBank          =
-| ChemSpiderID      =
+| ChemSpiderID      = 75826
 | chemical_formula  =C<sub>2</sub><sub>3</sub>H<sub>2</sub><sub>5</sub>NO<sub>7</sub>
 | molecular_weight  = 427.4471
@@ Line 60: / Line 60: @@
 [http://crdd.osdd.net/raghava/biadb/detail.php?id=2112 Link to BIAdb Database]
+[[Category:BIAdb_old]]