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Substance Name: 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester
RN: 81087-72-1
InChIKey: JREHUBWJCHZERV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-F3-N3-O4

Molecular Weight

  • 517.545
 
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Names and Synonyms

  • 6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-5,7-dimethyl-2,4-dioxo-1-(2-(1-piperidinyl)ethyl)-3-(2-(trifluoromethyl)phenyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 81087-72-1

System Generated Number

  • 0081087721

Structure Descriptors

InChI

1S/C27H30F3N3O4/c1-4-37-25(35)22-17(2)16-21-23(18(22)3)24(34)33(20-11-7-6-10-19(20)27(28,29)30)26(36)32(21)15-14-31-12-8-5-9-13-31/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3

InChIKey

JREHUBWJCHZERV-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(cc2c(c1C)c(=O)n(c(=O)n2CCN3CCCCC3)c4ccccc4C(F)(F)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4405623,