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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-((2-phenylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt)
RN: 104675-50-5
InChIKey: BUNZTAOYVABWMN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O.C4-H4-O4

Molecular Weight

  • 434.4894
 
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Names and Synonyms

Synonym

  • 9-((2-Phenylethyl)amino)-1,2,3,4-tetrahydro-1-acridinol (Z)-2-butenedioate (1:1) (salt)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104675-50-5

System Generated Number

  • 0104675505

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H22-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N2O.C4H4O4/c24-19-12-6-11-18-20(19)21(16-9-4-5-10-17(16)23-18)22-14-13-15-7-2-1-3-8-15;5-3(6)1-2-4(7)8/h1-5,7-10,19,24H,6,11-14H2,(H,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

BUNZTAOYVABWMN-BTJKTKAUSA-N

Smiles

c1ccc(cc1)CCNc2c3ccccc3nc4c2C(CCC4)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.