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Substance Name: Detajmium bitartrate [INN]
RN: 53862-81-0
UNII: 916D901058
InChIKey: DOHVHMBOUQUKBP-HWMPQMIHSA-M

Molecular Formula

  • C27-H42-N3-O3.C4-H5-O6.H2-O

Molecular Weight

  • 623.7391
 
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Names and Synonyms

Name of Substance

  • Detajmium bitartrate [INN]

Synonyms

  • 4-(3'-Diethylamino-2'-hydroxypropyl)ajmaline hydrogen tartrate
  • 4-(3-(Diethylamino)-2-hydroxypropyl)ajmalinium hydrogen tartrate monohydrate
  • Detajmium bitartrate
  • Detajmium bitartrate hydrate
  • Tachmalcor
  • UNII-916D901058

Systematic Names

  • Ajmalanium, 4-(3-(diethylamino)-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21alpha)-, salt with (2R,3R)-2,3-dihydroxybutanedioic acid (1:1), monohydrate
  • Ajmalanium, 4-(3-(diethylamino)-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), monohydrate
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, ion(1-), (17R,21alpha)-4-(3-(diethylamino)-2-hydroxypropyl)-17,21-dihydroxyajmalanium, monohydrate
  • Butanedioic acid, 2,3-dihydroxy-(R-(R*,R*))-, ion(1-), (17R,21alpha)-4-(3-(diethylamino)-2-hydroxypropyl)-17,21-dihydroxyajmalanium, monohydrate

Registry Numbers

CAS Registry Number

  • 53862-81-0

FDA UNII

  • 916D901058

System Generated Number

  • 0053862810

Molecular Formulas

Molecular Formula

  • C27-H42-N3-O3.C4-H5-O6.H2-O

Molecular Formula Fragments

  • C27-H42-N3-O3
  • C4-H5-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H42N3O3.C4H6O6.H2O/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3;5-1(3(7)8)2(6)4(9)10;/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10);1H2/q+1;;/p-1/t16?,17-,18+,21-,22-,23?,24-,25+,26+,27+,30-;1-,2-;/m01./s1

InChIKey

DOHVHMBOUQUKBP-HWMPQMIHSA-M

Smiles

CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)[N@+]3([C@@H]1O)CC(CN(CC)CC)O)c6ccccc6N4C.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.O