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Substance Name: Brucine sulfate [NF]
RN: 4845-99-2
UNII: KY7O12XPOQ
InChIKey: HCMSIGALSOEZRW-WIMNQIPBSA-N

Molecular Formula

  • C23-H26-N2-O4.1/2H2-O4-S

Molecular Weight

  • 887.0146
 
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Names and Synonyms

Name of Substance

  • 2,3-Dimethoxystrychnidin-10-one sulfate (2:1)
  • Brucine sulfate
  • Brucine sulfate [NF]
  • Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1)

Synonyms

  • AI3-15304
  • Brucine sulfate
  • Brucine sulfate (VAN)
  • EINECS 225-432-9
  • NSC 463
  • UNII-KY7O12XPOQ

Systematic Names

  • Brucine sulphate
  • Brucine, sulfate (2:1) (8CI)
  • Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 4845-99-2

FDA UNII

  • KY7O12XPOQ

Other Registry Numbers

  • 38741-38-7
  • 71908-57-1

System Generated Number

  • 0004845992

Molecular Formulas

Molecular Formula

  • C23-H26-N2-O4.1/2H2-O4-S

Molecular Formula Fragments

  • C23-H26-N2-O4
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C23H26N2O4.H2O4S/c2*1-27-16-8-14-15(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;1-5(2,3)4/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)/t2*13-,18-,19-,21-,22-,23+;/m00./s1

InChIKey

HCMSIGALSOEZRW-WIMNQIPBSA-N

Smiles

COc1cc2c(cc1OC)N3[C@@H]4[C@]25CC[N@@]6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6.COc1cc2c(cc1OC)N3[C@@H]4[C@]25CC[N@@]6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6.OS(=O)(=O)O