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Substance Name: Benzoic acid, 4-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-, methyl ester
RN: 133308-01-7
InChIKey: PPRSBOWRPJPSEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N3-O2

Molecular Weight

  • 417.5499
 
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Names and Synonyms

Synonym

  • BRN 4338013

Systematic Name

  • Benzoic acid, 4-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-, methyl ester

Registry Numbers

CAS Registry Number

  • 133308-01-7

System Generated Number

  • 0133308017

Structure Descriptors

InChI

1S/C26H31N3O2/c1-31-25(30)19-11-13-20(14-12-19)27-17-18-29-24-10-3-2-8-23(24)28-22-9-6-7-21(22)26(29)15-4-5-16-26/h2-3,8,10-14,21,27H,4-7,9,15-18H2,1H3

InChIKey

PPRSBOWRPJPSEO-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1)NCCN2c3ccccc3N=C4CCCC4C25CCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 41, Pg. 101, 1991.