Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-
RN: 105099-09-0
InChIKey: RDHFLKJHPFOZNX-SSDOTTSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O2-S

Molecular Weight

  • 216.3034
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-((3,4-Dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methylbutanoic acid
  • BRN 5518922

Systematic Name

  • Butanoic acid, 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)-3-mercapto-3-methyl-

Registry Numbers

CAS Registry Number

  • 105099-09-0

System Generated Number

  • 0105099090

Structure Descriptors

InChI

1S/C9H16N2O2S/c1-9(2,14)7(8(12)13)11-6-4-3-5-10-6/h7,14H,3-5H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1

InChIKey

RDHFLKJHPFOZNX-SSDOTTSWSA-N

Smiles

CC(C)([C@@H](C(=O)O)NC1=NCCC1)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 842, 1987.