NSC 186305

(Difference between revisions)

Revision as of 08:48, 30 April 2009

NSC 186305
Systematic (IUPAC) name
N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl) -6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	99713
ChemSpider	90089
Chemical data
Formula	C₂₈H₂₉NO₅S
Mol. mass	491.59856
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

491.59856

*Molecular Formula

C₂₈H₂₉NO₅S

*IUPAC NAME

N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SCC4=CC=CC=C4)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

3.4

*Topological Polar Surface Area

73.9 Toxicity mouse LD50 intraperitoneal 30mg/kg (30mg/kg)

Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.

@@ Line 5: / Line 5: @@
 {{Drugbox
-| IUPAC_name        =N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
+| IUPAC_name        =N-[1,2,3-trimethoxy-9-oxo-10-(phenylmethylsulfanyl)
+-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
 | PubChem           = 99713
 | DrugBank          =
-| ChemSpiderID      =
+| ChemSpiderID      = 90089
 | chemical_formula  =C<sub>2</sub><sub>8</sub>H<sub>2</sub><sub>9</sub>NO<sub>5</sub>S
 | molecular_weight  = 491.59856
@@ Line 54: / Line 55: @@
 .9
+<b>Toxicity</b>
+mouse 	LD50 	intraperitoneal 	30mg/kg (30mg/kg)
 ==External Links==
@@ Line 60: / Line 63: @@
 [http://crdd.osdd.net/raghava/biadb/detail.php?id=2146 Link to BIAdb Database]
+==References==
+Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.
+[[Category:Alkaloids]]