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Substance Name: 1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha,4,5-triphenyl-, (Z)-2-butenedioate(2:1)
RN: 98836-54-5
InChIKey: NUOGTWIBYCARPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H52-N6.C4-H4-O4

Molecular Weight

  • 909.1816
 
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Names and Synonyms

Synonym

  • JO 1323

Systematic Name

  • 1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha,4,5-triphenyl-, (Z)-2-butenedioate(2:1)

Registry Numbers

CAS Registry Number

  • 98836-54-5

System Generated Number

  • 0098836545

Molecular Formulas

Molecular Formula

  • C54-H52-N6.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C54-H52-N6
  • COMPONENT

Structure Descriptors

InChI

1S/2C27H29N3.C4H6O4/c2*1-3-19-30(25-17-11-6-12-18-25)22(2)20-29-21-28-26(23-13-7-4-8-14-23)27(29)24-15-9-5-10-16-24;5-3(6)1-2-4(7)8/h2*4-18,21-22H,3,19-20H2,1-2H3;1-2H2,(H,5,6)(H,7,8)

InChIKey

NUOGTWIBYCARPT-UHFFFAOYSA-N

Smiles

CCCN(c1ccccc1)C(C)Cn2cnc(c2c3ccccc3)c4ccccc4.CCCN(c1ccccc1)C(C)Cn2cnc(c2c3ccccc3)c4ccccc4.C(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1150mg/kg (1150mg/kg)   European Patent Application. Vol. #0151052,