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Substance Name: Benzenemethanethiol, alpha-(aminomethyl)-, dihydrogen phosphate (ester), sodium salt, hydrate, (2:2:5)
RN: 119610-64-9
InChIKey: CGRCBQIDYJTKCV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N-O3-P-S.Na.5/2H2-O

Molecular Weight

  • 273.2237
 
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Names and Synonyms

Synonyms

  • alpha-(Aminomethyl)benzenemethanethiol dihydrogen phosphate (ester) sodium hydrate (2:2:5)
  • Sodium 1-phenyl-2-aminoethylthiophosphate hydrate

Systematic Name

  • Benzenemethanethiol, alpha-(aminomethyl)-, dihydrogen phosphate (ester), sodium salt, hydrate, (2:2:5)

Registry Numbers

CAS Registry Number

  • 119610-64-9

System Generated Number

  • 0119610649

Molecular Formulas

Molecular Formula

  • C8-H11-N-O3-P-S.Na.5/2H2-O

Molecular Formula Fragments

  • C8-H11-N-O3-P-S
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C8H11NS.Na.H3O4P/c9-6-8(10)7-4-2-1-3-5-7;;1-5(2,3)4/h1-5,8,10H,6,9H2;;(H3,1,2,3,4)/q;+1;/p-1

InChIKey

CGRCBQIDYJTKCV-UHFFFAOYSA-M

Smiles

c1ccc(cc1)C(CN)S.OP(=O)(O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 375mg/kg (375mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 857, 1988.