BIAdb Phellodendrine chloride 2933

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BIAdb Phellodendrine chloride 2933
Systematic (IUPAC) name
(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride
Identifiers
CAS number	?
ATC code	?
PubChem	59818
Chemical data
Formula	C₂₀H₂₄ClNO₄
Mol. mass	377.86186
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

377.86186

*Exact Mass

377.139386

*Molecular Formula

C₂₀H₂₄ClNO₄

*IUPAC NAME

(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride

*Canonical Smiles

C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

*Isomeric Smiles

C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

58.9