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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-methoxy-, (Z)-2-butenedioate (1:1) (salt)
RN: 104628-15-1
InChIKey: JJASJOZIOZHGRJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O2.C4-H4-O4

Molecular Weight

  • 360.364
 
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Names and Synonyms

Synonym

  • 9-Amino-6-methoxy-1,2,3,4-tetrahydro-1-acridinol (Z)-2-butenedioate (1:1) (salt)

Systematic Name

  • 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-methoxy-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 104628-15-1

System Generated Number

  • 0104628151

Molecular Formulas

Molecular Formula

  • C14-H16-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C14-H16-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16N2O2.C4H4O4/c1-18-8-5-6-9-11(7-8)16-10-3-2-4-12(17)13(10)14(9)15;5-3(6)1-2-4(7)8/h5-7,12,17H,2-4H2,1H3,(H2,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

JJASJOZIOZHGRJ-BTJKTKAUSA-N

Smiles

COc1ccc2c(c1)nc3c(c2N)C(CCC3)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1805, 1989.