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Substance Name: Ajmalan-17,21-diol, (17S,20-alpha,21-beta)-, (E)-2-butenedioate (1:1)
ID: AX76975000
InChIKey: XAXWRVLRCJUUAL-LJSOZMJNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O2.C4-H4-O4

Molecular Weight

  • 442.509
 
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Names and Synonyms

Synonyms

  • (17S,20-alpha,21-beta)-Ajmalan-17,21-diol (E)-2-butenedioate (1:1)
  • Isosandwicine hydrogen fumarate

Systematic Name

  • Ajmalan-17,21-diol, (17S,20-alpha,21-beta)-, (E)-2-butenedioate (1:1)

Registry Numbers

ID Number

  • NIOSH/AX7697500

System Generated Number

  • AX76975000

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C20-H26-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2.C4H4O4/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;5-3(6)1-2-4(7)8/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t10-,11+,14+,15+,16?,17+,18+,19+,20-;/m1./s1

InChIKey

XAXWRVLRCJUUAL-LJSOZMJNSA-N

Smiles

CC[C@H]1[C@H](O)N2[C@H]3C[C@]45[C@@H](O)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56.OC(=O)\C=C\C(=O)O