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Substance Name: 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, (E)-2-butenedioate (salt) (1:1)
RN: 72156-41-3
InChIKey: ISKDFSQJJYLYCI-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O4.C4-H4-O4

Molecular Weight

  • 502.5606
 
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Names and Synonyms

Synonyms

  • CRL 40599C
  • N-(1-Methylethyl)-1,3-benzodioxole-5-methanamine (E)-2-butenedioate (salt) (1:1)
  • N-Isopropyl-piperonylamine fumarate
  • N-Isopropyl-piperonylamine fumarate [French]

Systematic Name

  • 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, (E)-2-butenedioate (salt) (1:1)

Registry Numbers

CAS Registry Number

  • 72156-41-3

System Generated Number

  • 0072156413

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O4.C4-H4-O4

Molecular Formula Fragments

  • C22-H28-N2-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C11H15NO2.C4H4O4/c2*1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;5-3(6)1-2-4(7)8/h2*3-5,8,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

ISKDFSQJJYLYCI-WXXKFALUSA-N

Smiles

CC(C)NCc1ccc2c(c1)OCO2.CC(C)NCc1ccc2c(c1)OCO2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 204mg/kg (204mg/kg)   European Patent Application. Vol. #0002638,