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Substance Name: Butethamate citrate
RN: 13900-12-4
InChIKey: VVNURWKSPYZZCI-UHFFFAOYSA-N

Molecular Formula

  • C16-H25-N-O2.x-C6-H8-O7

Molecular Weight

  • 455.501
 
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Names and Synonyms

Name of Substance

  • Butethamate citrate

Synonyms

  • Butethamate citrate
  • EINECS 237-671-6

Systematic Names

  • beta-Diethylaminoethyl-2-phenylbutyrate
  • Diethyl(2-(2-phenylbutyroyloxy)ethyl)ammonium dihydrogen citrate

Registry Numbers

CAS Registry Number

  • 13900-12-4

System Generated Number

  • 0013900124

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2.x-C6-H8-O7

Molecular Formula Fragments

  • C16-H25-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

VVNURWKSPYZZCI-UHFFFAOYSA-N

Smiles

C([C@@H](CC)c1ccccc1)(=O)OCCN(CC)CC.C(CC(CC(=O)O)(C(=O)O)O)(=O)O