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Substance Name: Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
RN: 3078-93-1
InChIKey: VXNROYLQCMFQJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N-O5-P-S2

Molecular Weight

  • 351.382
 
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Names and Synonyms

Synonyms

  • BRN 1354885
  • Pyrrolidine, 1-(p-hydroxybenzenesulfonyl)-, ester with dimethylphosphorothioate

Systematic Name

  • Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester

Registry Numbers

CAS Registry Number

  • 3078-93-1

System Generated Number

  • 0003078931

Structure Descriptors

InChI

1S/C12H18NO5PS2/c1-16-19(20,17-2)18-11-5-7-12(8-6-11)21(14,15)13-9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3

InChIKey

VXNROYLQCMFQJO-UHFFFAOYSA-N

Smiles

N1(S(=O)(=O)c2ccc(cc2)OP(OC)(OC)=S)CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 377, 1965.