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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
RN: 133147-24-7
InChIKey: HTTHWVOTPBWVSY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-Cl-N5-O6

Molecular Weight

  • 598.0964
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 133147-24-7

System Generated Number

  • 0133147247

Structure Descriptors

InChI

1S/C30H36ClN5O6/c1-5-42-33(4)29(37)26-20(2)32-21(3)27(28(26)22-7-6-8-25(19-22)36(39)40)30(38)41-18-17-34-13-15-35(16-14-34)24-11-9-23(31)10-12-24/h6-12,19,28,32H,5,13-18H2,1-4H3

InChIKey

HTTHWVOTPBWVSY-UHFFFAOYSA-N

Smiles

CCON(C)C(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)c4ccc(cc4)Cl)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 120mg/kg (120mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.