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Substance Name: 9H-Purine, 9-allyl-2-(4-(2-tritylethyl)-1-piperazinyl)-, bis(methanesulfonate)
RN: 37425-13-1
InChIKey: YSJYSVDSXWWVGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H34-N6.2C-H4-O3-S

Molecular Weight

  • 706.8848
 
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Names and Synonyms

Synonym

  • 9-Allyl-2-(4-(2-tritylethyl)-1-piperazinyl)-9H-purine dimethanesulfonate

Systematic Name

  • 9H-Purine, 9-allyl-2-(4-(2-tritylethyl)-1-piperazinyl)-, bis(methanesulfonate)

Registry Numbers

CAS Registry Number

  • 37425-13-1

System Generated Number

  • 0037425131

Molecular Formulas

Molecular Formula

  • C33-H34-N6.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C33-H34-N6
  • COMPONENT

Structure Descriptors

InChI

1S/C33H34N6.2CH4O3S/c1-2-19-39-26-35-30-25-34-32(36-31(30)39)38-23-21-37(22-24-38)20-18-33(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29;2*1-5(2,3)4/h2-17,25-26H,1,18-24H2;2*1H3,(H,2,3,4)

InChIKey

YSJYSVDSXWWVGW-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.C=CCn1cnc2c1nc(nc2)N3CCN(CC3)CCC(c4ccccc4)(c5ccccc5)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 192, 1972.