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204395-49-3

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Basic Information
CAS No.: 204395-49-3
Name: BUSPIRONE (D8)
Molecular Structure:
Molecular Structure of 204395-49-3 (BUSPIRONE (D8))
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
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    Buspirone-d8 Hydrochloride

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Specification

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