5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
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![5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4856bb1c5a044baa93d1f42b8b672383.png "5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one")
5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
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CAS No:
4231-96-3
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Formula:
C18H21N3O
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Chemical Name:
5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
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Synonyms:
11H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 5,10-DIHYDRO-10-(3-(DIMETHYLAMINO)PROPYL)-;4231-96-3;10-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one;10-[3-(dimethylamino)propyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one;BRN 0686679;DTXSID30195130;ZINC2037995
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CAS No:
5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one Basic Attributes
295.4 g/mol
295.168462302 g/mol
DTXSID30195130
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 100 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,153,1971 |
Computed Properties
Molecular Weight:295.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:295.168462302
Monoisotopic Mass:295.168462302
Topological Polar Surface Area:35.6
Heavy Atom Count:22
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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