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Substance Name: Acetic acid, cyano(1-(2-(((dimethylamino)methylene)amino)-2-thioxoethyl)-2-pyrrolidinylidene)-, ethyl ester
RN: 111038-14-3
InChIKey: WJAJIUDPXWHFJN-QUALZDFUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N4-O2-S

Molecular Weight

  • 308.404
 
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Names and Synonyms

  • Acetic acid, cyano(1-(2-(((dimethylamino)methylene)amino)-2-thioxoethyl)-2-pyrrolidinylidene)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 111038-14-3

System Generated Number

  • 0111038143

Structure Descriptors

InChI

1S/C14H20N4O2S/c1-4-20-14(19)11(8-15)12-6-5-7-18(12)9-13(21)16-10-17(2)3/h10H,4-7,9H2,1-3H3/b12-11+,16-10+

InChIKey

WJAJIUDPXWHFJN-QUALZDFUSA-N

Smiles

CCOC(=O)/C(=C/1\CCCN1CC(=S)/N=C/N(C)C)/C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 869, 1989.