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Substance Name: 2-Propenethioic acid, 3-(4-(dimethylamino)phenyl)-, O-ethyl ester
RN: 117666-89-4
InChIKey: MBVYEVUWAIDSEL-JXMROGBWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-O-S

Molecular Weight

  • 235.3493
 
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Names and Synonyms

Synonyms

  • 3-(4-(Dimethylamino)phenyl)-2-propenethioic acid O-ethyl ester
  • Cinnamic acid, (4-dimethylamino)thio-, O-ethyl ester

Systematic Name

  • 2-Propenethioic acid, 3-(4-(dimethylamino)phenyl)-, O-ethyl ester

Registry Numbers

CAS Registry Number

  • 117666-89-4

System Generated Number

  • 0117666894

Structure Descriptors

InChI

1S/C13H17NOS/c1-4-15-13(16)10-7-11-5-8-12(9-6-11)14(2)3/h5-10H,4H2,1-3H3/b10-7+

InChIKey

MBVYEVUWAIDSEL-JXMROGBWSA-N

Smiles

CCOC(=S)/C=C/c1ccc(cc1)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 120mg/kg (120mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 551, 1988.