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Substance Name: Cetraxate benzyl ester
RN: 27725-13-9
InChIKey: ABBGKHNUPGYMRC-URGWDIIDSA-N

Note

  • Precursor of cetraxate.

Molecular Formula

  • C24-H29-N-O4.Cl-H

Molecular Weight

  • 431.957
 
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Names and Synonyms

Name of Substance

  • Cetraxate benzyl ester

Systematic Name

  • Benzenepropanoic acid, 4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)-, phenylmethyl ester, hydrochloride, trans-

Registry Numbers

CAS Registry Number

  • 27725-13-9

System Generated Number

  • 0027725139

Molecular Formulas

Molecular Formula

  • C24-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C24-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29NO4.ClH/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20;/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2;1H/t19-,21-;

InChIKey

ABBGKHNUPGYMRC-URGWDIIDSA-N

Smiles

c1ccc(cc1)COC(=O)CCc2ccc(cc2)OC(=O)[C@H]3CC[C@@H](CC3)CN.Cl