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Substance Name: 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester
RN: 105522-79-0
InChIKey: ABEXHMFQXVFOHQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl-N-O5-S

Molecular Weight

  • 347.8172
 
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Names and Synonyms

Synonyms

  • 2-Chloroacetylamino-3-ethoxycarbonyl-4-methyl-5-thiopheneacetic acid ethyl ester
  • 2-Thiopheneacetic acid, 5-((chloroacetyl)amino)-4-(ethoxycarbonyl)-3-methyl-, ethyl ester
  • 4-Carboxy-5-(2-chloroacetamido)-3-methyl-2-thiopheneacetic acid diethyl ester
  • BRN 5600027

Systematic Name

  • 2-Thiopheneacetic acid, 4-carboxy-5-(2-chloroacetamido)-3-methyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 105522-79-0

System Generated Number

  • 0105522790

Structure Descriptors

InChI

1S/C14H18ClNO5S/c1-4-20-11(18)6-9-8(3)12(14(19)21-5-2)13(22-9)16-10(17)7-15/h4-7H2,1-3H3,(H,16,17)

InChIKey

ABEXHMFQXVFOHQ-UHFFFAOYSA-N

Smiles

CCOC(=O)Cc1c(c(c(s1)NC(=O)CCl)C(=O)OCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 23, 1986.