BIAdb CID633810 1779

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Revision as of 11:10, 20 November 2009

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BIAdb CID633810 1779
Systematic (IUPAC) name
N-(9,10-dichloro-1,2,3-trimethoxy-5,6-dihydrobenzo[d]heptalen-7-yl)acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	633810
Chemical data
Formula	C21H21Cl2NO4
Mol. mass	422.30174
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

422.30174

*Exact Mass

421.084764

*Molecular Formula

C₂₁H₂₁Cl₂NO₄

*IUPAC NAME

N-(9,10-dichloro-1,2,3-trimethoxy-5,6-dihydrobenzo[d]heptalen-7-yl)acetamide

*Canonical Smiles

CC(=O)NC1=C2C=C(C(=CC=C2C3=C(C(=C(C=C3CC1)OC)OC)OC)Cl)Cl

*Isomeric Smiles

N/A

*XLogP

3.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

4

*Topological Polar Surface Area

56.8

External Links

• Pubchem

Link to BIAdb Database