Umespirone

cas: 107736-98-1 — see every product listed under this CAS number, including other names

Umespirone (CAS 107736-98-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(1R,5S)-3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone (CAS 107736-98-1) is a chemical compound with the molecular formula C28H40N4O5 and a molecular weight of 512.6 g/mol. IUPAC name: (1R,5S)-3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone. InChIKey: BXNRTMZZILHVNJ-ZRZAMGCNSA-N.

Identity
Molecular formulaC28H40N4O5
Molecular weight512.6 g/mol
IUPAC name(1R,5S)-3-butyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
InChIKeyBXNRTMZZILHVNJ-ZRZAMGCNSA-N
SMILESCCCCN1C(=O)[C@@H]2C(=O)N(C(=O)[C@H](C1=O)C2(C)C)CCCCN3CCN(CC3)C4=CC=CC=C4OC

Computed by PubChem (NCBI)

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