Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)
RN: 109350-98-3
InChIKey: HXXWXLKMSZBVMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N6-O4-S.Cl-H.2H2-O

Molecular Weight

  • 438.8941
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1,6-Dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-1,3,5-triazine-2,4-diamine HCl

Systematic Name

  • 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-((4-nitrophenyl)sulfonyl)phenyl)-, hydrochloride, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 109350-98-3

System Generated Number

  • 0109350983

Molecular Formulas

Molecular Formula

  • C17-H18-N6-O4-S.Cl-H.2H2-O

Molecular Formula Fragments

  • C17-H18-N6-O4-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H18N6O4S.ClH/c1-17(2)21-15(18)20-16(19)22(17)11-3-7-13(8-4-11)28(26,27)14-9-5-12(6-10-14)23(24)25;/h3-10H,1-2H3,(H4,18,19,20,21);1H

InChIKey

HXXWXLKMSZBVMD-UHFFFAOYSA-N

Smiles

CC1(N=C(N=C(N1c2ccc(cc2)S(=O)(=O)c3ccc(cc3)[N+](=O)[O-])N)N)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 360mg/kg (360mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 425, 1986.