BIAdb O-(4-ethoxybutyl)berbamine 2841

Revision as of 06:39, 15 December 2009 by Neetikagambhir (Talk | contribs)

(diff) ←Older revision | Current revision (diff) | Newer revision→ (diff)

BIAdb O-(4-ethoxybutyl)berbamine 2841
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	188375
Chemical data
Formula	C₄₃H₅₂N₂O₇
Mol. mass	708.88218
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Calmodulin antagonist

*Molecular Weight

708.88218

*Exact Mass

708.377452

*Molecular Formula

C₄₃H₅₂N₂O₇

*IUPAC NAME

N/A

*Canonical Smiles

CCOCCCCOC1=C2C=C(CC3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN(C(C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1

*Isomeric Smiles

CCOCCCCOC1=C2C=C(C[C@@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN([C@H](C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1

*XLogP

7.3

*Hydrogen bond donor

0

*Hydrogen bond acceptor

9

*Rotational Bond Count

10

*Topological Polar Surface Area

71.1