BIAdb Ocoteine 2853

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BIAdb Ocoteine 2853
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	52499
Chemical data
Formula	C₂₁H₂₃NO₅
Mol. mass	369.41102
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Cassytha filiformis

Adrenergic alpha-blocker

*Molecular Weight

369.41102

*Exact Mass

369.157623

*Molecular Formula

C₂₁H₂₃NO₅

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=C(C3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3)OC

*Isomeric Smiles

CN1CCC2=C(C3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3)OC

*XLogP

3.2

*Hydrogen bond donor

0

*Hydrogen bond acceptor

6

*Rotational Bond Count

3

*Topological Polar Surface Area

49.4