Isoboldine

CAS Registry Number®

3019-51-0
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CAS Name

Isoboldine

Molecular Formula

C19H21NO4

Molecular Mass

327.37

Cite this Page

Isoboldine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3019-51-0 (retrieved 2024-05-03) (CAS RN: 3019-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

InChIKey

InChIKey=LINHZVMHXABQLB-ZDUSSCGKSA-N

SMILES

OC1=C2C=3[C@](CC=4C2=CC(OC)=C(O)C4)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

OC1=CC2=C(C=C1OC)C3=C(O)C(OC)=CC4=C3C(N(C)CC4)C2

Other Names for this Substance

  • 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aS)-
  • Isoboldine
  • 6aα-Aporphine-1,9-diol, 2,10-dimethoxy-
  • 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1,9-diol

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