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Substance Name: Benzonitrile, 3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (Z)-2-butenedioate (1:1)
RN: 38791-51-4
InChIKey: USGXRKFZDDKONB-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O2.C4-H4-O4

Molecular Weight

  • 350.3688
 
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Names and Synonyms

Synonym

  • 3-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzonitrile fumarate (1:1)

Systematic Name

  • Benzonitrile, 3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 38791-51-4

System Generated Number

  • 0038791514

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H18-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O2.C4H4O4/c1-10(2)15-8-12(16)9-17-13-5-3-4-11(6-13)7-14;5-3(6)1-2-4(7)8/h3-6,10,12,15-16H,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

USGXRKFZDDKONB-BTJKTKAUSA-N

Smiles

CC(C)NCC(COc1cccc(c1)C#N)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Indian Journal of Chemistry. Vol. 12, Pg. 1021, 1974.