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Substance Name: Pivalic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide
RN: 104071-77-4
InChIKey: SYAGNXPUGXHHRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O2-S.Br-H

Molecular Weight

  • 299.2311
 
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Names and Synonyms

Synonym

  • Thiopivalic acid S-2-(2-aminoacetamido)ethyl ester hydrobromide

Systematic Name

  • Pivalic acid, thio-, S-2-(2-aminoacetamido)ethyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 104071-77-4

System Generated Number

  • 0104071774

Molecular Formulas

Molecular Formula

  • C9-H18-N2-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C9-H18-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H18N2O2S.BrH/c1-9(2,3)8(13)14-5-4-11-7(12)6-10;/h4-6,10H2,1-3H3,(H,11,12);1H

InChIKey

SYAGNXPUGXHHRO-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)SCCNC(=O)CN.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 2217, 1986.