Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(phenylthio)-1-piperidinyl)-, monohydrochloride
RN: 122113-37-5
InChIKey: VPBUYWWUARWQLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O-S.Cl-H

Molecular Weight

  • 376.9099
 
* 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

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(phenylthio)-1-piperidinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 122113-37-5

System Generated Number

  • 0122113375

Molecular Formulas

Molecular Formula

  • C18-H20-N4-O-S.Cl-H

Molecular Formula Fragments

  • C18-H20-N4-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N4OS.ClH/c1-21-16(23)11-13-12-19-18(20-17(13)21)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14;/h2-6,12,15H,7-11H2,1H3;1H

InChIKey

VPBUYWWUARWQLF-UHFFFAOYSA-N

Smiles

CN1c2c(cnc(n2)N3CCC(CC3)Sc4ccccc4)CC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5304555,