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Substance Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
RN: 110406-54-7
InChIKey: GGMCPKWWLSYZJG-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C30-H32-F-N3-O2.Cl-H
Molecular Weight
- 522.0607
Names and Synonyms
- 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methoxyphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
Registry Numbers
CAS Registry Number
- 110406-54-7
System Generated Number
- 0110406547
Molecular Formulas
Molecular Formula
- C30-H32-F-N3-O2.Cl-H
Molecular Formula Fragments
- C30-H32-F-N3-O2
- Cl-H
- COMPONENT
Structure Descriptors
InChI
1S/C30H32FN3O2.ClH/c1-36-26-14-10-22(11-15-26)16-19-33-18-4-5-25(17-20-33)34-30(35)28-7-3-2-6-27(28)29(32-34)21-23-8-12-24(31)13-9-23;/h2-3,6-15,25H,4-5,16-21H2,1H3;1HInChIKey
GGMCPKWWLSYZJG-UHFFFAOYSA-NSmiles
COc1ccc(cc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 500mg/kg (500mg/kg) | United States Patent Document. Vol. #4841047, |