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Substance Name: Strychnidin-10-one, 2,3-dimethoxy-, ((1R)-1-methylheptyl 1,2-benzenedicarboxylate) (1:1)
RN: 68239-26-9
InChIKey: AIGCMVGMKTZIPN-IOKCYJPOSA-N

Molecular Formula

  • C23-H26-N2-O4.C16-H22-O4

Molecular Weight

  • 672.814
 
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Names and Synonyms

Synonyms

  • EINECS 269-439-5
  • l-2-Octyl phthalate, brucine salt

Systematic Names

  • Strychnidin-10-one, 2,3-dimethoxy-, ((1R)-1-methylheptyl 1,2-benzenedicarboxylate) (1:1)
  • Strychnidin-10-one, 2,3-dimethoxy-, mono((1R)-1-methylheptyl 1,2-benzenedicarboxylate)
  • Strychnidin-10-one, 2,3-dimethoxy-, mono((R)-1-methylheptyl 1,2-benzenedicarboxylate)

Registry Numbers

CAS Registry Number

  • 68239-26-9

System Generated Number

  • 0068239269

Molecular Formulas

Molecular Formula

  • C23-H26-N2-O4.C16-H22-O4

Molecular Formula Fragments

  • C16-H22-O4
  • C23-H26-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26N2O4.C16H22O4/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;1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/t13-,18-,19-,21-,22-,23+;11-/m01/s1

InChIKey

AIGCMVGMKTZIPN-IOKCYJPOSA-N

Smiles

c1(c(c([C@H](C)CCCCCC)ccc1)C(=O)O)C(=O)O.C1[C@@H]2[C@@H]3[C@@H]4N5c6c([C@]74[C@H]1[N@@](CC2=CCO[C@H]3CC5=O)CC7)cc(c(c6)OC)OC