BIAdb 6-bromo-dihydropapaverine hydrochloride 1058

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1058 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1058 Link to BIAdb Database]
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[[Category:BIAdb]]

Current revision

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Show 2-D Structure

BIAdb 6-bromo-dihydropapaverine hydrochloride 1058
Systematic (IUPAC) name
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride
Identifiers
CAS number  ?
ATC code  ?
PubChem 43028
Chemical data
Formula C20H23BrClNO4
Mol. mass 456.75792
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

456.75792

*Exact Mass

455.049899

*Molecular Formula

C20H23BrClNO4

*IUPAC NAME

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride

*Canonical Smiles

COC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC(=C(C=C3Br)OC)OC)OC.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

50.9

[edit] External Links

Link to BIAdb Database

Retrieved from "http://277988.efsst.group/drugpedia/index.php/BIAdb_6-bromo-dihydropapaverine_hydrochloride_1058"