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146939-27-7

146939-27-7 structural image
Product Name: Ziprasidone
Formula: C21H21ClN4OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point >276°C (Ziprasidone Hydrochloride Monohydrate)
Flash Point -2 °C (28 °F) - closed cup
Solubility 7.18e-03 g/L
LogP 3.8
Stability/Shelf Life Stable under recommended storage conditions.
Collision Cross Section 192.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Other Experimental Properties White to slightly pink powder. MW: 467.41. Also prepared as the hemihydrate, mp >300 °C /Ziprasidone hydrochloride monohydrate/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H317:Sensitisation, Skin
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 412.9 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 412.1124602 g/mol
Monoisotopic Mass 412.1124602 g/mol
Topological Polar Surface Area 76.7 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 573
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ziprasidone is a piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. It has a role as a psychotropic drug, a histamine antagonist, a muscarinic antagonist, a serotonergic antagonist, a dopaminergic antagonist and an antipsychotic agent. It is a member of piperazines, an organochlorine compound, a member of indolones and a 1,2-benzisothiazole.

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