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Substance Name: Alethine bis(trifluoroacetate)
RN: 97313-92-3
InChIKey: MJCSMJJNACYVAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H22-N4-O2-S2.2C2-H-F3-O2

Molecular Weight

  • 522.4856
 
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Names and Synonyms

Results Name

  • Alethine bis(trifluoroacetate)

Synonyms

  • N,N'-(Dithiodi-2,1-ethanediyl)bis(2-(methylamino)acetamide) bis(trifluoroacetate)
  • N,N'-Bis(sarcosyl)cystamine bis(trifluoroacetate)

Systematic Name

  • Acetamide, N,N'-(dithiodi-2,1-ethanediyl)bis(2-(methylamino)-, bis(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 97313-92-3

System Generated Number

  • 0097313923

Molecular Formulas

Molecular Formula

  • C10-H22-N4-O2-S2.2C2-H-F3-O2

Molecular Formula Fragments

  • C10-H22-N4-O2-S2
  • C2-H-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C10H22N4O2S2.2C2HF3O2/c1-11-7-9(15)13-3-5-17-18-6-4-14-10(16)8-12-2;2*3-2(4,5)1(6)7/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16);2*(H,6,7)

InChIKey

MJCSMJJNACYVAI-UHFFFAOYSA-N

Smiles

S(SCCNC(=O)CNC)CCNC(=O)CNC.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 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 809, 1992.