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Substance Name: Aprophit
RN: 130746-91-7
InChIKey: AGMGQDOWYGYXDR-UHFFFAOYSA-L

Molecular Formula

  • C22-H26-N2-O2-S.C2-H2-O4

Molecular Weight

  • 470.543
 
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Names and Synonyms

Name of Substance

  • Aprophit

Systematic Name

  • Benzeneacetic acid, 4-isothiocyanato-alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, (+-)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 130746-91-7

System Generated Number

  • 0130746917

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H26-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O2S.C2H2O4/c1-4-24(5-2)15-16-26-21(25)22(3,18-9-7-6-8-10-18)19-11-13-20(14-12-19)23-17-27;3-1(4)2(5)6/h6-14H,4-5,15-16H2,1-3H3;(H,3,4)(H,5,6)/p-2

InChIKey

AGMGQDOWYGYXDR-UHFFFAOYSA-L

Smiles

c1(ccc(N=C=S)cc1)[C@@](C(=O)OCCN(CC)CC)(c1ccccc1)C.C(C(=O)[O-])(=O)[O-]