(+)-Hydrastine

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(+)-Hydrastine
Systematic (IUPAC) name
(3R)-6,7-dimethoxy-3-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Identifiers
CAS number	?
ATC code	?
PubChem	656743
Chemical data
Formula	C₂₁H₂₁NO₆
Mol. mass	383.39454
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

*Molecular Weight

383.39454

*Molecular Formula

C₂₁H₂₁NO₆

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

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

*XLogP

2.6

*Topological Polar Surface Area

66.5