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Substance Name: Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen phosphate (ester)
RN: 31786-66-0
InChIKey: BWIITHSPBIWMQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N2-O5-P-S

Molecular Weight

  • 372.38
 
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Names and Synonyms

Synonyms

  • 2-(5-Phthalimidopentylamino)ethanethiol hydrogen phosphate (ester)
  • BRN 1500674
  • N-(5-(2-Mercaptoethylamino)pentyl)phthalimide hydrogen phosphate (ester)
  • Phthalimide, N-(5-(2-mercaptoethylamino)pentyl)-, hydrogen phosphate (ester)

Systematic Name

  • Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen phosphate (ester)

Registry Numbers

CAS Registry Number

  • 31786-66-0

System Generated Number

  • 0031786660

Structure Descriptors

InChI

1S/C15H21N2O5PS/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-5-1-4-8-16-9-11-24-23(20,21)22/h2-3,6-7,16H,1,4-5,8-11H2,(H2,20,21,22)

InChIKey

BWIITHSPBIWMQL-UHFFFAOYSA-N

Smiles

P(SCCNCCCCCN1C(=O)c2c(C1=O)cccc2)(O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 345, 1971.