Perospirone hydrochloride hydrate

Base Information

• Chemical Name: Perospirone hydrochloride hydrate
• CAS No.: 129273-38-7
• Molecular Formula: C23H30N4O2S^.HCl
• Molecular Weight: 463.04
• European Community (EC) Number: 889-491-8
• UNII: S03S4466IP
• DSSTox Substance ID: DTXSID70172763
• Wikidata: Q27288377
• Mol file: 129273-38-7.mol

Synonyms:Perospirone hydrochloride hydrate;192052-81-6;Perospirone hydrochloride dihydrate;UNII-S03S4466IP;S03S4466IP;129273-38-7;(3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrate;hydrochloride;C23H30N4O2S.ClH;Perospirone hydrochloride hydrate (JAN);C23-H30-N4-O2-S.Cl-H;PEROSPIRONE HYDROCHLORIDE HYDRATE [JAN];SM-9018;Lullan (TN);Cis-N-[4-(4-91,2-benzisothiazol-3-yl)-1-piperazinyl)butyl]cyclohexane-1,2-dicarb;DTXSID70172763;AKOS015994676;KS-1211;D02372;PEROSPIRONE HYDROCHLORIDE DIHYDRATE [WHO-DD];Q27288377;1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)HEXAHYDRO-, HYDROCHLORIDE, HYDRATE (1:1:2), (3AR,7AS)-REL-;CIS-N-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-1,2-CYCLOHEXANEDICARBOXIMIDE HYDROCHLORIDE DIHYDRATE

Chemical Property of Perospirone hydrochloride hydrate

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 95-97 °C
• Boiling Point: 585.5 °C at 760 mmHg
• Flash Point: 307.9 °C
• PSA: 84.99000
• LogP: 4.11650
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 498.2067545
• Heavy Atom Count: 33
• Complexity: 615

Purity/Quality:

99% ^*data from raw suppliers

PerospironeHydrochlorideHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.O.O.Cl
• Isomeric SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.O.O.Cl
• Uses: Serotonin (5-HT2) and dopamine (D2) antagonist (SDA) Serotonin (5-HT2) and dopamine (D2) antagonist (SDA).