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Substance Name: Pyrazole-4-carboxylic acid, 5-((1-methylhexahydro-1H-azepin-2-ylidene)amino)-, ethyl ester
RN: 66751-73-3
InChIKey: LERMRYMEQCLIQY-RVDMUPIBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N4-O2

Molecular Weight

  • 264.327
 
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Names and Synonyms

Synonym

  • 5-((1-Methylhexahydro-1H-azepin-2-ylidene)amino)pyrazole-4-carboxylic acid ethyl ester

Systematic Name

  • Pyrazole-4-carboxylic acid, 5-((1-methylhexahydro-1H-azepin-2-ylidene)amino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 66751-73-3

System Generated Number

  • 0066751733

Structure Descriptors

InChI

1S/C13H20N4O2/c1-3-19-13(18)10-9-14-16-12(10)15-11-7-5-4-6-8-17(11)2/h9H,3-8H2,1-2H3,(H,14,16)/b15-11+

InChIKey

LERMRYMEQCLIQY-RVDMUPIBSA-N

Smiles

CCOC(=O)c1c[nH]nc1/N=C/2\CCCCCN2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 374, 1980.