Hydrastine

Hydrastine
Clinical data
ATC code	none;
Pharmacokinetic data
Metabolism	Hepatic
Excretion	Renal
Identifiers
	IUPAC name 6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one;
CAS Number	118-08-1 ;
PubChem CID	197835;
ChemSpider	171234 ;
UNII	8890V3217X;
ChEMBL	ChEMBL497942 ;
CompTox Dashboard (EPA)	DTXSID9025409 ;
ECHA InfoCard	100.003.849
Chemical and physical data
Formula	C21H21NO6
Molar mass	383.400 g·mol−1
3D model (JSmol)	Interactive image;
Melting point	132 °C (270 °F)
	SMILES O=C2O[C@@H](c1ccc(OC)c(OC)c12)[C@@H]5N(C)CCc4c5cc3OCOc3c4;
	InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1 ; Key:JZUTXVTYJDCMDU-MOPGFXCFSA-N ;
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Hydrastine is an isoquinoline alkaloid which was discovered in 1851 by Alfred P. Durand. Nitric acid induced hydrolysis of hydrastine yields hydrastinine, which was patented by Bayer as a haemostatic drug in the early 1900's. It is present in Hydrastis canadensis (thus the name) and other plants of the family Ranunculaceae.

Clinical data

ATC code	none
Pharmacokinetic data
Metabolism	Hepatic
Excretion	Renal
Identifiers
IUPAC name 6,7-Dimethoxy-3-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one
CAS Number	118-08-1^Y
PubChem CID	197835
ChemSpider	171234^Y
UNII	8890V3217X
ChEMBL	ChEMBL497942^N
CompTox Dashboard (EPA)	DTXSID9025409
ECHA InfoCard	100.003.849
Chemical and physical data
Formula	C₂₁H₂₁NO₆
Molar mass	383.400 g·mol⁻¹
3D model (JSmol)	Interactive image
Melting point	132 °C (270 °F)
SMILES O=C2O[C@@H](c1ccc(OC)c(OC)c12)[C@@H]5N(C)CCc4c5cc3OCOc3c4
InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1^Y Key:JZUTXVTYJDCMDU-MOPGFXCFSA-N^Y
^NY (what is this?) (verify)