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Substance Name: 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
RN: 110406-41-2
InChIKey: NFLFLIMLTBODCP-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C29-H29-Cl2-N3-O.Cl-H
Molecular Weight
- 542.935
Names and Synonyms
- 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
Registry Numbers
CAS Registry Number
- 110406-41-2
System Generated Number
- 0110406412
Molecular Formulas
Molecular Formula
- C29-H29-Cl2-N3-O.Cl-H
Molecular Formula Fragments
- C29-H29-Cl2-N3-O
- Cl-H
- COMPONENT
Structure Descriptors
InChI
1S/C29H29Cl2N3O.ClH/c30-23-11-7-21(8-12-23)15-18-33-17-3-4-25(16-19-33)34-29(35)27-6-2-1-5-26(27)28(32-34)20-22-9-13-24(31)14-10-22;/h1-2,5-14,25H,3-4,15-20H2;1HInChIKey
NFLFLIMLTBODCP-UHFFFAOYSA-NSmiles
c1ccc2c(c1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 500mg/kg (500mg/kg) | United States Patent Document. Vol. #4841047, |