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Substance Name: Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, butyl ester
RN: 84496-18-4
InChIKey: ZKIHLNKABPBPAI-PJJLUWSFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H31-Cl-N4-O5

Molecular Weight

  • 575.062
 
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Names and Synonyms

Synonym

  • BRN 5202851

Systematic Name

  • Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, butyl ester

Registry Numbers

CAS Registry Number

  • 84496-18-4

System Generated Number

  • 0084496184

Structure Descriptors

InChI

1S/C31H31ClN4O5/c1-2-3-16-41-31(39)22-6-11-25(12-7-22)34-29(37)21-4-9-24(10-5-21)33-28-26-19-23(32)8-13-27(26)36(30(28)38)20-35-14-17-40-18-15-35/h4-13,19H,2-3,14-18,20H2,1H3,(H,34,37)/b33-28+

InChIKey

ZKIHLNKABPBPAI-PJJLUWSFSA-N

Smiles

c\12c(N(CN3CCOCC3)C(C1=N/c1ccc(C(Nc3ccc(C(OCCCC)=O)cc3)=O)cc1)=O)ccc(c2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 775, 1982.