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Substance Name: Ajmalan-17,21-diol, (17S,21-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)
ID: AX77150000
InChIKey: SUCQYWOQFDZJPB-HQMWZORZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N2-O2.C4-H6-O6

Molecular Weight

  • 476.5228
 
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Names and Synonyms

Synonyms

  • (17S,21-alpha)-Ajmalan-17,21-diol (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)
  • Sandwicine hydrogen tartrate

Systematic Name

  • Ajmalan-17,21-diol, (17S,21-alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt)

Registry Numbers

ID Number

  • NIOSH/AX7715000

System Generated Number

  • AX77150000

Molecular Formulas

Molecular Formula

  • C20-H26-N2-O2.C4-H6-O6

Molecular Formula Fragments

  • C20-H26-N2-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O2.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11-,14-,15-,16?,17-,18-,19+,20+;1-,2-/m00/s1

InChIKey

SUCQYWOQFDZJPB-HQMWZORZSA-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.O[C@@H]([C@H](O)C(=O)O)C(=O)O