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Substance Name: 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-, (Z)-2-butenedioate (salt), hydrate (2:4:1)
RN: 111380-25-7
InChIKey: IXWODIBBQAQKKK-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-N4-O.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 530.531
 
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Names and Synonyms

Synonyms

  • 1-(3-Dimethylaminopropylamino)-8-hydroxy-4-methyl-5H-pyrido(4,3-b)indole dimaleate hemihydrate
  • SR 95443A

Systematic Name

  • 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4-methyl-, (Z)-2-butenedioate (salt), hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 111380-25-7

System Generated Number

  • 0111380257

Molecular Formulas

Molecular Formula

  • C17-H22-N4-O.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C17-H22-N4-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H22N4O.2C4H4O4/c1-11-10-19-17(18-7-4-8-21(2)3)15-13-9-12(22)5-6-14(13)20-16(11)15;2*5-3(6)1-2-4(7)8/h5-6,9-10,20,22H,4,7-8H2,1-3H3,(H,18,19);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

IXWODIBBQAQKKK-SPIKMXEPSA-N

Smiles

C(\C=C/C(=O)O)(=O)O.[nH]1c2c(c3cc(ccc13)O)c(ncc2C)NCCCN(C)C.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4835160,
mouse LDLo intravenous 40mg/kg (40mg/kg)   United States Patent Document. Vol. #4835160,