Colchicine analog

(Difference between revisions)

Current revision

Colchicine analog
Systematic (IUPAC) name
3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Identifiers
CAS number	?
ATC code	?
PubChem	84075
ChemSpider	75852
Chemical data
Formula	C₃₀H₃₃NO₉
Mol. mass	551.58432
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

551.58432

*Molecular Formula

C₃₀H₃₃NO₉

*IUPAC NAME

3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

*Isomeric Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

*XLogP

2.6

*Topological Polar Surface Area

111

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source

mouse LDLo intramuscular 99288ug/kg (99.288mg/kg) Journal of Medicinal Chemistry. Vol. 26, Pg. 1365, 1983.

@@ Line 8: / Line 8: @@
 | PubChem           = 84075
 | DrugBank          =
-| ChemSpiderID      =
+| ChemSpiderID      = 75852
 | chemical_formula  =C<sub>3</sub><sub>0</sub>H<sub>3</sub><sub>3</sub>NO<sub>9</sub>
 | molecular_weight  = 551.58432
@@ Line 54: / Line 54: @@
+==Toxicity==
+Organism  	Test Type  	Route  	Reported Dose (Normalized Dose)  	Effect  	Source
+mouse 	LDLo 	intramuscular 	99288ug/kg (99.288mg/kg) 	  	Journal of Medicinal Chemistry. Vol. 26, Pg. 1365, 1983.
 ==External Links==
@@ Line 60: / Line 65: @@
 [http://crdd.osdd.net/raghava/biadb/detail.php?id=2118 Link to BIAdb Database]
+[[Category:BIAdb_old]]