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Substance Name: 1,3-Propanediamine, N,N-diethyl-N'-(4-phenyl-2-thiazolyl)-, (Z)-2-butenedioate (1:2)
RN: 118679-02-0
InChIKey: AJZHYTJWRHQEQI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N3-S.2C4-H4-O4

Molecular Weight

  • 521.5879
 
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Names and Synonyms

Synonyms

  • N,N-Diethyl-N'-(4-phenyl-2-thiazolyl)-1,3-propanediamine (Z)-2-butenedioate (1:2)
  • SR 44374 A

Systematic Name

  • 1,3-Propanediamine, N,N-diethyl-N'-(4-phenyl-2-thiazolyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 118679-02-0

System Generated Number

  • 0118679020

Molecular Formulas

Molecular Formula

  • C16-H23-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C16-H23-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23N3S.2C4H4O4/c1-3-19(4-2)12-8-11-17-16-18-15(13-20-16)14-9-6-5-7-10-14;2*5-3(6)1-2-4(7)8/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

AJZHYTJWRHQEQI-LVEZLNDCSA-N

Smiles

CCN(CCCNc1scc(n1)c2ccccc2)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   United States Patent Document. Vol. #5232921,