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Substance Name: Calcium (1)-bis(4-(benzoylamino)-5-(dipropylamino)-5-oxovalerate)
RN: 85068-56-0
InChIKey: CKVJNBJBVWVPGO-UHFFFAOYSA-L

Molecular Formula

  • C18-H26-N2-O4.1/2Ca

Molecular Weight

  • 706.889
 
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Names and Synonyms

Synonym

  • EINECS 285-313-2

Systematic Name

  • Calcium (1)-bis(4-(benzoylamino)-5-(dipropylamino)-5-oxovalerate)

Registry Numbers

CAS Registry Number

  • 85068-56-0

System Generated Number

  • 0085068560

Molecular Formulas

Molecular Formula

  • C18-H26-N2-O4.1/2Ca

Molecular Formula Fragments

  • C18-H26-N2-O4
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H26N2O4.Ca/c2*1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h2*5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;;+2/p-2

InChIKey

CKVJNBJBVWVPGO-UHFFFAOYSA-L

Smiles

CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Ca+2]