Hydrastine hydrochloride

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Hydrastine hydrochloride
Systematic (IUPAC) name
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
Identifiers
CAS number	?
ATC code	?
PubChem	197834
Chemical data
Formula	C21H22ClNO6
Mol. mass	419.85548
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

[edit] General Properties

*Molecular Weight

419.85548

*Molecular Formula

C₂₁H₂₂ClNO₆

*IUPAC NAME

(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride

*Canonical Smiles

CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl

*Isomeric Smiles

CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl

*XLogP

N/A

*Topological Polar Surface Area

66.5

[edit] External Links

• Pubchem

Link to BIAdb Database