CAS Registry Number®
118-08-1
CAS Name
(-)-Hydrastine
Molecular Formula
C21H21NO6
Molecular Mass
383.39
Compound Properties
-
Melting Point (1)
132 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
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
InChIKey
InChIKey=JZUTXVTYJDCMDU-MOPGFXCFSA-N
SMILES
CN1[C@@]([C@@]2(C=3C(C(=O)O2)=C(OC)C(OC)=CC3)[H])(C4=C(C=C5C(=C4)OCO5)CC1)[H]
Canonical SMILES
O=C1OC(C2=CC=C(OC)C(OC)=C12)C3C4=CC=5OCOC5C=C4CCN3C
Other Names for this Substance
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-
- Hydrastine
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
- 1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.
- (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
- β-Hydrastine
- (-)-β-Hydrastine
- l-Hydrastine
- (-)-Hydrastine
- (1R,9S)-β-Hydrastine
Deleted or Replaced CAS Registry Numbers
5988-13-6, 26294-47-3, 28638-96-2
