CAS Registry Number®
357-57-3
CAS Name
Brucine
Molecular Formula
C23H26N2O4
Molecular Mass
394.46
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
- (-)-Brucine
- l-Brucine
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
