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Substance Name: Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
RN: 119584-96-2
InChIKey: BQKDJIIZPKGZSW-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C27-H29-Cl2-N-O2.Cl-H
Molecular Weight
- 506.898
Names and Synonyms
Synonym
- SR 44026 A
Systematic Name
- Benzoic acid, 2,4-dichloro-, 4-(hexahydro-1H-azepin-1-yl)-2-(2-naphthalenyl)butyl ester, hydrochloride
Registry Numbers
CAS Registry Number
- 119584-96-2
System Generated Number
- 0119584962
Molecular Formulas
Molecular Formula
- C27-H29-Cl2-N-O2.Cl-H
Molecular Formula Fragments
- C27-H29-Cl2-N-O2
- Cl-H
- COMPONENT
Structure Descriptors
InChI
1S/C27H29Cl2NO2.ClH/c28-24-11-12-25(26(29)18-24)27(31)32-19-23(13-16-30-14-5-1-2-6-15-30)22-10-9-20-7-3-4-8-21(20)17-22;/h3-4,7-12,17-18,23H,1-2,5-6,13-16,19H2;1HInChIKey
BQKDJIIZPKGZSW-UHFFFAOYSA-NSmiles
c1ccc2cc(ccc2c1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 1gm/kg (1000mg/kg) | United States Patent Document. Vol. #5089251, |