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Substance Name: Valeramide, 5-(p-(9-acridinylamino)phenyl)-, methanesulfonate, hemihydrate
RN: 73855-25-1
InChIKey: SBGWNGRFDYXBDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N3-O.C-H4-O3-S.1/2H2-O

Molecular Weight

  • 949.1574
 
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Names and Synonyms

Synonym

  • 5-(p-(9-Acridinylamino)phenyl)valeramide, methanesulfonate, hemihydrate

Systematic Name

  • Valeramide, 5-(p-(9-acridinylamino)phenyl)-, methanesulfonate, hemihydrate

Registry Numbers

CAS Registry Number

  • 73855-25-1

System Generated Number

  • 0073855251

Molecular Formulas

Molecular Formula

  • C24-H23-N3-O.C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C24-H23-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C24H23N3O.2CH4O3S.H2O/c2*25-23(28)12-6-1-7-17-13-15-18(16-14-17)26-24-19-8-2-4-10-21(19)27-22-11-5-3-9-20(22)24;2*1-5(2,3)4;/h2*2-5,8-11,13-16H,1,6-7,12H2,(H2,25,28)(H,26,27);2*1H3,(H,2,3,4);1H2

InChIKey

SBGWNGRFDYXBDH-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)CCCCC(=O)N.c1ccc2c(c1)c(c3ccccc3n2)Nc4ccc(cc4)CCCCC(=O)N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 430, 1978.