STOCK1N-45781

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STOCK1N-45781
Systematic (IUPAC) name
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenylmethylamino)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	84072
ChemSpider	75849
Chemical data
Formula	C28H30N2O5
Mol. mass	474.5482
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

474.5482

*Molecular Formula

C₂₈H₃₀N₂O₅

*IUPAC NAME

N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenylmethylamino)-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)NCC4=CC=CC=C4)OC)OC)OC

*Isomeric Smiles

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC

*XLogP

3.4

*Topological Polar Surface Area

85.9

[edit] Toxicity

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

mouse LD50 intraperitoneal 25mg/kg (25mg/kg) Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.

[edit] External Links

• Pubchem

Link to BIAdb Database