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Substance Name: Phosphorothioic acid, S-2,7-diaminoheptyl ester
RN: 78218-99-2
InChIKey: XGNXKZYTDXWUMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H19-N2-O3-P-S

Molecular Weight

  • 242.2781
 
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Names and Synonyms

Synonyms

  • BRN 2445431
  • S-2,7-Diaminoheptyl dihydrogen phosphorothioate

Systematic Name

  • Phosphorothioic acid, S-2,7-diaminoheptyl ester

Registry Numbers

CAS Registry Number

  • 78218-99-2

System Generated Number

  • 0078218992

Structure Descriptors

InChI

1S/C7H19N2O3PS/c8-5-3-1-2-4-7(9)6-14-13(10,11)12/h7H,1-6,8-9H2,(H2,10,11,12)

InChIKey

XGNXKZYTDXWUMQ-UHFFFAOYSA-N

Smiles

C(CCC(CSP(=O)(O)O)N)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.