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CAS No.: | 204395-49-3 |
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Name: | BUSPIRONE (D8) |
Molecular Structure: | |
Formula: | C21H23D8N5O2 |
Molecular Weight: | 393.55 |
Synonyms: | Buspirone-d8 Hydrochloride;8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride; |
EINECS: | 200-659-6 |
Melting Point: | 198-200 °C |
Flash Point: | 9℃ |
Appearance: | White Solid |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | 7-16-36/37-45 |
PSA: | 69.64000 |
LogP: | 2.02900 |
The CAS register number of 8-Azaspiro[4.5]decane-7,9-dione,8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl-1,1,2,2,3,3,4,4-d8]- (9CI) is 204395-49-3. It also can be called as Buspirone-d8 Hydrochloride and the systematic name about this chemical is 8-[1,1,2,2,3,3,4,4-octadeuterio-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride. The molecular formula about this chemical is C21H23D8N5O2 and the molecular weight is 393.55. It belongs to the following product categories which include Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals and so on.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4ncccn4.Cl
(2)InChI: InChI=1/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H/i3D2,4D2,10D2,11D2;
(3)InChIKey: RICLFGYGYQXUFH-WPEKBPPBEC
(4)Std. InChI: InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H/i3D2,4D2,10D2,11D2;
(5)Std. InChIKey: RICLFGYGYQXUFH-WPEKBPPBSA-N