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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dihydro-alpha-(mercaptomethyl)-, ethyl ester
RN: 153686-93-2
InChIKey: ODUSVQLYSHDKDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O2-S

Molecular Weight

  • 227.3263
 
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Names and Synonyms

Synonym

  • Ethyl 2,5-dihydro-alpha-(mercaptomethyl)-1H-pyrrole-3-acetat

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dihydro-alpha-(mercaptomethyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 153686-93-2

System Generated Number

  • 0153686932

Structure Descriptors

InChI

1S/C11H17NO2S/c1-4-14-11(13)10(7-15)12-8(2)5-6-9(12)3/h5-6,10,15H,4,7H2,1-3H3

InChIKey

ODUSVQLYSHDKDS-UHFFFAOYSA-N

Smiles

CCOC(=O)C(CS)n1c(ccc1C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 28, Pg. 703, 1993.