NSC 186305

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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	?

Contents 1 Description 2 General Properties 3 External Links 4 References

[edit] Description

[edit] General Properties

*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)

[edit] External Links

• Pubchem

Link to BIAdb Database

[edit] References

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