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Substance Name: Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-
RN: 128173-53-5
UNII: 9NTH34FQ9R
InChIKey: XADVDTANOZJZTP-XZWFXUMZSA-N

Molecular Formula

  • 2C20-H23-F-N2-O2.C20-H18-O8

Molecular Weight

  • 1071.1776
 
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Names and Synonyms

Name of Substance

  • Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-

Synonyms

  • Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (2S,3S)-, compd. with 4-((1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile (1:2)
  • Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-
  • Citadiol hemidtta, (S,S,S)-
  • UNII-9NTH34FQ9R

Registry Numbers

CAS Registry Number

  • 128173-53-5

FDA UNII

  • 9NTH34FQ9R

System Generated Number

  • 0128173535

Structure Descriptors

InChI

1S/2C20H23FN2O2.C20H18O8/c2*1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h2*4-9,12,24-25H,3,10-11,14H2,1-2H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t2*20-;15-,16-/m000/s1

InChIKey

XADVDTANOZJZTP-XZWFXUMZSA-N

Smiles

CN(C)CCC[C@](O)(c1ccc(F)cc1)c2ccc(cc2CO)C#N.CN(C)CCC[C@](O)(c3ccc(F)cc3)c4ccc(cc4CO)C#N.Cc5ccc(cc5)C(=O)O[C@@H]([C@H](OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O