BIAdb STOCK1N-28977 3268

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Revision as of 11:40, 20 November 2009

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BIAdb STOCK1N-28977 3268
Systematic (IUPAC) name
N-[(7S)-10-diethylamino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	23398
Chemical data
Formula	C25H32N2O5
Mol. mass	440.53198
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

440.53198

*Exact Mass

440.231122

*Molecular Formula

C₂₅H₃₂N₂O₅

*IUPAC NAME

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

*Canonical Smiles

CCN(CC)C1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

*Isomeric Smiles

CCN(CC)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

*XLogP

2.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

6

*Rotational Bond Count

7

*Topological Polar Surface Area

77.1

External Links

• Pubchem

Link to BIAdb Database