Brucine

CAS Registry Number®

357-57-3

CAS Name

Brucine

Molecular Formula

C23H26N2O4

Molecular Mass

394.46

Cite this Page

Brucine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=357-57-3 (retrieved 2024-11-22) (CAS RN: 357-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    470 °C

  • Melting Point (1)

    178 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1

InChIKey

InChIKey=RRKTZKIUPZVBMF-IBTVXLQLSA-N

SMILES

O=C1N2[C@@]3([C@]4(C=5C2=CC(OC)=C(OC)C5)[C@]6([N@@](CC4)CC=7[C@@]([C@]3([C@](C1)(OCC7)[H])[H])(C6)[H])[H])[H]

Canonical SMILES

O=C1N2C3=CC(OC)=C(OC)C=C3C45CCN6CC7=CCOC(C1)C(C7CC64)C25

Other Names for this Substance

  • Strychnidin-10-one, 2,3-dimethoxy-
  • Brucine
  • 4,6-Methano-6H,14H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline, strychnidin-10-one deriv.
  • 2,3-Dimethoxystrychnidin-10-one
  • 2,3-Dimethoxystrychnine

View All

Deleted or Replaced CAS Registry Numbers

54193-32-7, 70206-61-0, 101324-32-7, 193198-03-7, 462651-43-0, 1087723-67-8, 1195340-33-0, 1195623-19-8

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