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Substance Name: Acridine, 1,2,3,4-tetrahydro-9-(heptylamino)-, butenedioate (2:1)
RN: 113106-70-0
InChIKey: GPCLSSURSZZHKS-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2.1/2C4-H4-O4

Molecular Weight

  • 708.982
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-9-(heptylamino)acridine butenedioate (2:1)
  • 9-Acridinamine, N-heptyl-1,2,3,4-tetrahydro-, (E)-2-butenedioate (2:1)

Systematic Name

  • Acridine, 1,2,3,4-tetrahydro-9-(heptylamino)-, butenedioate (2:1)

Registry Numbers

CAS Registry Number

  • 113106-70-0

System Generated Number

  • 0113106700

Molecular Formulas

Molecular Formula

  • C20-H28-N2.1/2C4-H4-O4

Molecular Formula Fragments

  • C20-H28-N2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H28N2.C4H4O4/c2*1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20;5-3(6)1-2-4(7)8/h2*6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

GPCLSSURSZZHKS-WXXKFALUSA-N

Smiles

CCCCCCCNc1c2ccccc2nc3c1CCCC3.CCCCCCCNc1c2ccccc2nc3c1CCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 318, 1987.