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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
RN: 107610-45-7
InChIKey: HNVFSDOPQBVHEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H35-Cl-N4-O6

Molecular Weight

  • 631.1255
 
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Names and Synonyms

Synonym

  • SUN 4752

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester

Registry Numbers

CAS Registry Number

  • 107610-45-7

System Generated Number

  • 0107610457

Structure Descriptors

InChI

1S/C34H35ClN4O6/c1-23-28(29(30(32(35)36-23)33(40)44-2)26-14-9-15-27(22-26)39(42)43)34(41)45-21-20-37-16-18-38(19-17-37)31(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-15,22,29,31,36H,16-21H2,1-2H3

InChIKey

HNVFSDOPQBVHEU-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)Cl)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 23mg/kg (23mg/kg)   United States Patent Document. Vol. #4824837,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4824837,