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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl methyl ester, hydrochloride
RN: 102336-14-1
InChIKey: QNFYRNJOARWSRN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H44-N4-O8.x-Cl-H

Molecular Weight

  • 685.2135
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)ethyl methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102336-14-1

System Generated Number

  • 0102336141

Molecular Formulas

Molecular Formula

  • C35-H44-N4-O8.x-Cl-H

Molecular Formula Fragments

  • C35-H44-N4-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H44N4O8.ClH/c1-22(2)35(21-36,26-13-14-28(44-6)29(20-26)45-7)15-10-16-38(5)17-18-47-34(41)31-24(4)37-23(3)30(33(40)46-8)32(31)25-11-9-12-27(19-25)39(42)43;/h9,11-14,19-20,22,32,37H,10,15-18H2,1-8H3;1H

InChIKey

QNFYRNJOARWSRN-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CCCC(C#N)(c2ccc(c(c2)OC)OC)C(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 278mg/kg (278mg/kg)   United States Patent Document. Vol. #4634712,