5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one hydrochloride

• ChemBase ID: 68563
• Molecular Formular: C21H22Cl2N4OS
• Molecular Mass: 449.39658
• Monoisotopic Mass: 448.0891377
• SMILES: N1C(=O)Cc2cc(c(cc12)Cl)CCN1CCN(CC1)c1nsc2c1cccc2.Cl
• Canonical SMILES: O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2.Cl
• InChI: InChI=1S/C21H21ClN4OS.ClH/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;/h1-4,11,13H,5-10,12H2,(H,23,27);1H
• InChIKey: NZDBKBRIBJLNNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihydro-1H-indol-2-one hydrochloride
• IUPAC Traditional name: ziprasidone hydrochloride
• Synonyms: 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride; Geodon; Zeldox; Ziprasidone hydrochloride

Database IDs

• CAS Number: 138982-67-9; 122883-93-6
• PubChem SID: 162034294
• PubChem CID: 219099

CALCULATED PROPERTIES

• Acid pKa: 13.181678
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7102394
• LogD (pH = 7.4): 4.1316934
• Log P: 4.3040466
• Molar Refractivity: 116.7248 cm^3
• Polarizability: 44.12495 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Pharmacology Properties

• Target: Neurological Disease

Product Information

• Purity: 95+%
• Salt Data: Hydrochloride

DETAILS

Selleck Chemicals - S1444

Research Area: Neurological Disease
Biological Activity:
Ziprasidone (Geodon, Zeldox) was the fifth atypical antipsychotic to gain FDA approval. In the United States, Ziprasidone is approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania and mixed states associated with bipolar disorder. [1]

REFERENCES

• en.wikipedia.org/wiki/Ziprasidone_hydrochloride