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Substance Name: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
RN: 116308-52-2
InChIKey: QUGUJYXZTVOISG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H41-N5-O4.Cl-H

Molecular Weight

  • 704.2668
 
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Names and Synonyms

  • (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 116308-52-2

System Generated Number

  • 0116308522

Molecular Formulas

Molecular Formula

  • C41-H41-N5-O4.Cl-H

Molecular Formula Fragments

  • C41-H41-N5-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C41H41N5O4.ClH/c1-28-36(40(47)49-3)38(35-26-31(27-42)18-20-43-35)37(29(2)44-28)41(48)50-25-19-30-14-16-34(17-15-30)45-21-23-46(24-22-45)39(32-10-6-4-7-11-32)33-12-8-5-9-13-33;/h4-18,20,26,38-39,44H,19,21-25H2,1-3H3;1H

InChIKey

QUGUJYXZTVOISG-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cc(ccn6)C#N)C(=O)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4886819,