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Substance Name: Tazifylline hydrochloride [USAN]
RN: 79712-53-1
UNII: 409R6U6UEI
InChIKey: HFYFNZKRWQJSLF-UHFFFAOYSA-N

Classification Codes

  • Antihistaminic
  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N6-O3-S.2Cl-H

Molecular Weight

  • 545.5326
 
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Names and Synonyms

Name of Substance

  • Tazifylline hydrochloride [USAN]

Synonyms

  • (+-)-7-(2-Hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)theophylline dihydrochloride
  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-1,3-dimethyl-, dihydrochloride, (+-)-
  • LN 2974
  • RS-49014
  • Tazifylline HCl
  • Tazifylline hydrochloride
  • UNII-409R6U6UEI

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride
  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxy-3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-1,3-dimethyl-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 79712-53-1

FDA UNII

  • 409R6U6UEI

Related Registry Number

  • 79712-55-3 (Parent)

System Generated Number

  • 0079712531

Molecular Formulas

Molecular Formula

  • C23-H32-N6-O3-S.2Cl-H

Molecular Formula Fragments

  • C23-H32-N6-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32N6O3S.2ClH/c1-25-21-20(22(31)26(2)23(25)32)29(17-24-21)16-18(30)15-28-12-10-27(11-13-28)9-6-14-33-19-7-4-3-5-8-19;;/h3-5,7-8,17-18,30H,6,9-16H2,1-2H3;2*1H

InChIKey

HFYFNZKRWQJSLF-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN3CCN(CC3)CCCSc4ccccc4)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2100mg/kg (2100mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 647, 1985.