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Substance Name: Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(alpha-amino-, (S-(R*,R*))-, bis(trifluoroacetate)
RN: 117507-07-0
InChIKey: PTABHXKVDWVSTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N4-O2-S2.2C2-H-F3-O2

Molecular Weight

  • 674.6808
 
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Names and Synonyms

Synonyms

  • N,N'-Bis(phenylalanine)cystamine bis(trifluoroacetate)
  • RTECS CZ5068000

Systematic Name

  • Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis(alpha-amino-, (S-(R*,R*))-, bis(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 117507-07-0

System Generated Number

  • 0117507070

Molecular Formulas

Molecular Formula

  • C22-H30-N4-O2-S2.2C2-H-F3-O2

Molecular Formula Fragments

  • C2-H-F3-O2
  • C22-H30-N4-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30N4O2S2.2C2HF3O2/c23-21(27)11-9-17-5-1-3-7-19(17)25-13-15-29-30-16-14-26-20-8-4-2-6-18(20)10-12-22(24)28;2*3-2(4,5)1(6)7/h1-8,25-26H,9-16H2,(H2,23,27)(H2,24,28);2*(H,6,7)

InChIKey

PTABHXKVDWVSTJ-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)CCC(=O)N)NCCSSCCNc2ccccc2CCC(=O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 809, 1992.