BIAdb 7-bromoethoxyphenyl tetrahydropalatine 1064

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1064 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1064 Link to BIAdb Database]
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[[Category:BIAdb]]

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Show 2-D Structure

BIAdb 7-bromoethoxyphenyl tetrahydropalatine 1064
Systematic (IUPAC) name
7-[2-(2-bromoethoxy)phenyl]-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Identifiers
CAS number  ?
ATC code  ?
PubChem 3082983
Chemical data
Formula C29H33BrNO5+
Mol. mass 555.48002
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

555.48002

*Exact Mass

554.154211

*Molecular Formula

C29H33BrNO5+

*IUPAC NAME

7-[2-(2-bromoethoxy)phenyl]-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium

*Canonical Smiles

COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)C5=CC=CC=C5OCCBr)OC)OC)C=C1)OC

*Isomeric Smiles

N/A

*XLogP

5.5

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

8

*Topological Polar Surface Area

46.2

[edit] External Links

Link to BIAdb Database

Retrieved from "http://277988.efsst.group/drugpedia/index.php/BIAdb_7-bromoethoxyphenyl_tetrahydropalatine_1064"