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Substance Name: 1-Pentanethiol, 2,5-diamino-, dihydrogen phosphate (ester), (+-)-
RN: 70561-83-0
InChIKey: UFEQAHRMNBEVLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H15-N2-O3-P-S

Molecular Weight

  • 214.2245
 
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Names and Synonyms

Synonyms

  • (+-)-2,5-Diamino-1-pentanethiol dihydrogen phosphate (ester)
  • BRN 3939961
  • DL-S-2,5-Diaminopentyl dihydrogen phosphorothioate
  • WR 179209

Systematic Name

  • 1-Pentanethiol, 2,5-diamino-, dihydrogen phosphate (ester), (+-)-

Registry Numbers

CAS Registry Number

  • 70561-83-0

System Generated Number

  • 0070561830

Structure Descriptors

InChI

1S/C5H15N2O3PS/c6-3-1-2-5(7)4-12-11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)

InChIKey

UFEQAHRMNBEVLL-UHFFFAOYSA-N

Smiles

C(CC(CSP(=O)(O)O)N)CN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 631, 1979.