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Substance Name: Benzoic acid, 2-((2-(1,2,3,10a-tetrahydrospiro(benzo(b)cyclopenta(e)(1,4)diazepine-10(9),1'-cyclopent)-9-yl)ethyl)amino)-
RN: 133308-02-8
InChIKey: OLUAJMLVIKFTNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N3-O2

Molecular Weight

  • 403.5231
 
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Names and Synonyms

Synonym

  • BRN 4337036

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133308-02-8

System Generated Number

  • 0133308028

Structure Descriptors

InChI

1S/C25H29N3O2/c29-24(30)18-8-1-2-10-20(18)26-16-17-28-23-13-4-3-11-22(23)27-21-12-7-9-19(21)25(28)14-5-6-15-25/h1-4,8,10-11,13,19,26H,5-7,9,12,14-17H2,(H,29,30)

InChIKey

OLUAJMLVIKFTNI-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)O)NCCN2c3ccccc3N=C4CCCC4C25CCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 41, Pg. 101, 1991.