NSC 264062

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NSC 264062
Systematic (IUPAC) name
2-hydroxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	84056
ChemSpider	75838
Chemical data
Formula	C22H25NO6S
Mol. mass	431.502
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 General Properties 3 Toxicity 4 External Links

[edit] Description

[edit] General Properties

*Molecular Weight

431.502

*Molecular Formula

C₂₂H₂₅NO₆S

*IUPAC NAME

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

*Canonical Smiles

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC

*Isomeric Smiles

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC

*XLogP

0.9

*Topological Polar Surface Area

94.1

[edit] Toxicity

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

mouse LD50 intraperitoneal 944ug/kg (0.944mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.

[edit] External Links

• Pubchem

Link to BIAdb Database