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Substance Name: 1,2-Cyclohexanedicarboximide, N-(4-(2-mercaptoethylamino)butyl)-, sodium hydrogen phosphorothioate (ester), hydrate, (Z)-, (2:5)
RN: 31750-91-1
InChIKey: AQXWHRPIXSEZDS-IWKKHLOMSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N2-O5-P-S.Na.5/2H2-O

Molecular Weight

  • 386.383
 
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Names and Synonyms

Synonym

  • (Z)-N-(4-(2-Mercaptoethylamino)butyl)-1,2-cyclohexanedicarboximide monosodium phosphate

Systematic Name

  • 1,2-Cyclohexanedicarboximide, N-(4-(2-mercaptoethylamino)butyl)-, sodium hydrogen phosphorothioate (ester), hydrate, (Z)-, (2:5)

Registry Numbers

CAS Registry Number

  • 31750-91-1

System Generated Number

  • 0031750911

Molecular Formulas

Molecular Formula

  • C14-H24-N2-O5-P-S.Na.5/2H2-O

Molecular Formula Fragments

  • C14-H24-N2-O5-P-S
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C14H25N2O5PS.Na/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-4-3-7-15-8-10-23-22(19,20)21;/h11-12,15H,1-10H2,(H2,19,20,21);/q;+1/p-1/t11-,12+;

InChIKey

AQXWHRPIXSEZDS-IWKKHLOMSA-M

Smiles

[Na+].P(O)(=O)([O-])SCCNCCCCN1C(=O)[C@H]2[C@@H](CCCC2)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 350, 1971.