Ziprasidone EP Impurity A - CAS 87691-87-0

Catalog:	BB038593
Product Name:	Ziprasidone EP Impurity A
CAS:	87691-87-0
Synonyms:	3-(1-Piperazinyl)-1,2-benzisothiazole; 3-(piperazin-1-yl)benzo[d]isothiazole; 3-Piperazin-1-yl-benzo[d]isothiazole; Ziprasidone Related Compound A

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Computed Properties

IUPAC Name:	3-piperazin-1-yl-1,2-benzothiazole
Description:	An impurity of Ziprasidone, a combined serotonin (5HT2) and dopamine (D2) receptor antagonist.
Molecular Weight:	219.31
Molecular Formula:	C11H13N3S
Canonical SMILES:	C1CN(CCN1)C2=NSC3=CC=CC=C32
InChI:	InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:	KRDOFMHJLWKXIU-UHFFFAOYSA-N
Boiling Point:	320.2 °C at 760 mmHg
Purity:	98.0%
Density:	1.256 g/cm³
MDL:	MFCD04117970
LogP:	2.09970

Publication Number	Title	Priority Date
CN-113087684-A	Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-113201020-A	Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate	20210323
CN-113009042-A	Analysis and detection method of 3- (1-piperazinyl) -1, 2-benzisothiazole hydrochloride and related substances thereof	20210316
WO-2021151493-A1	Flame retardant chemical compositions	20200130
JP-2021119130-A	A drug consisting of a fused lactam derivative	20200129

PMID	Publication Date	Title	Journal
22558126	20120101	Synthesis and evaluation of a series of 2-substituted-5-thiopropylpiperazine (piperidine)-1,3,4-oxadiazoles derivatives as atypical antipsychotics	PloS one
22570547	20120101	Critical appraisal of lurasidone in the management of schizophrenia	Neuropsychiatric disease and treatment
22115400	20110301	Oral ziprasidone in the treatment of patients with bipolar disorders: a critical review	Expert review of clinical pharmacology
14503666	20030101	In vitro metabolism of perospirone in rat, monkey and human liver microsomes	European journal of drug metabolism and pharmacokinetics
14503668	20030101	Distribution of perospirone to melanin in pigmented rats	European journal of drug metabolism and pharmacokinetics

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[1197193-08-0]
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GHS Hazard Statement:	H301 (86.96%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08301860
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.08301860
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1