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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(1H-imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester, hydrochloride
RN: 103433-96-1
InChIKey: ASIGQAOLGBBSLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N4-O6.Cl-H

Molecular Weight

  • 462.8877
 
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Names and Synonyms

Synonym

  • Wy 27569 hydrochloride

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(1H-imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 103433-96-1

System Generated Number

  • 0103433961

Molecular Formulas

Molecular Formula

  • C21-H22-N4-O6.Cl-H

Molecular Formula Fragments

  • C21-H22-N4-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N4O6.ClH/c1-4-31-21(27)19-16(11-24-9-8-22-12-24)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)25(28)29;/h5-10,12,18,23H,4,11H2,1-3H3;1H

InChIKey

ASIGQAOLGBBSLR-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)Cn3ccnc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 3260mg/kg (3260mg/kg)   Cardiovascular Drug Reviews. Vol. 8, Pg. 117, 1990.
mouse LDLo oral 815mg/kg (815mg/kg)   Cardiovascular Drug Reviews. Vol. 8, Pg. 117, 1990.
rat LDLo intraperitoneal 286mg/kg (286mg/kg)   Cardiovascular Drug Reviews. Vol. 8, Pg. 117, 1990.
rat LDLo oral 2305mg/kg (2305mg/kg)   Cardiovascular Drug Reviews. Vol. 8, Pg. 117, 1990.