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Substance Name: Ahr 13268D
RN: 130838-11-8
InChIKey: MNTCVCOGLDBELB-UHFFFAOYSA-M

Molecular Formula

  • C28-H29-F2-N-O4.Na

Molecular Weight

  • 503.518
 
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Names and Synonyms

Name of Substance

  • Ahr 13268D

Synonyms

  • 4-(3-(4-(Bis(4-fluorophenyl)hydroxymethyl)-1-piperidinyl)propoxy)benzoic acid
  • Ahr-13268D

Systematic Name

  • Benzoic acid, 4-(3-(4-(bis(4-fluorophenyl)hydroxymethyl)-1-piperidinyl)propoxy)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 130838-11-8

System Generated Number

  • 0130838118

Molecular Formulas

Molecular Formula

  • C28-H29-F2-N-O4.Na

Molecular Formula Fragments

  • C28-H29-F2-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H29F2NO4.Na/c29-24-8-4-21(5-9-24)28(34,22-6-10-25(30)11-7-22)23-14-17-31(18-15-23)16-1-19-35-26-12-2-20(3-13-26)27(32)33;/h2-13,23,34H,1,14-19H2,(H,32,33);/q;+1/p-1

InChIKey

MNTCVCOGLDBELB-UHFFFAOYSA-M

Smiles

[Na+].C(c1ccc(cc1)OCCCN1CCC(CC1)C(O)(c1ccc(cc1)F)c1ccc(cc1)F)(=O)[O-]