Chemical Properties of Hydrastine (CAS 118-08-1)

Hydrastine

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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
InChI Key
JZUTXVTYJDCMDU-UHFFFAOYSA-N
Formula
C21H21NO6
SMILES
COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3
Molecular Weight1
383.39
CAS
118-08-1
Other Names
  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
  • 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
  • Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
  • [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
  • l-«beta»-Hydrastine
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 2.87 Crippen Calculated Property

Similar Compounds

Noscapine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. N-Acetylnornarcotine. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. Chlortetracycline hydrochloride. 3-O,6-O,N-Triacetylnormorphine. 6-O,N-Diacetylnorcodeine. Thebaine. Neopine. 6-acetyl-3-propionyl-morphine. Dipropanoylmorphine. Etorphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Nicocodine. Diacetylmorphine.

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