(-)-Hydrastine

CAS Registry Number®

118-08-1
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CAS Name

(-)-Hydrastine

Molecular Formula

C21H21NO6

Molecular Mass

383.39

Cite this Page

(-)-Hydrastine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118-08-1 (retrieved 2024-04-26) (CAS RN: 118-08-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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Deleted or Replaced CAS Registry Numbers

5988-13-6, 26294-47-3, 28638-96-2

CAS INSIGHTSTM
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