CAS No.138982-67-9,5-[2-[4-(1,2-Benzisothiazol-3yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138982-67-9
Name:	5-[2-[4-(1,2-Benzisothiazol-3yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride

Formula:	C₂₁H₂₁ClN₄OS.HCl.H₂O
Molecular Weight:	467.39
Synonyms:	2H-Indol-2-one,5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-,monohydrochloride, monohydrate (9CI);5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl]-6-chloro-1,3-dihydro-2H-indol-2-onehydrochloride monohydrate;Ziprasidonemonohydrochloride monohydrate;
Melting Point:	300 °C
Boiling Point:	554.8 °C at 760 mmHg
Flash Point:	289.3 °C
Appearance:	off-white powder
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
Safety:	24/25
PSA:	85.94000
LogP:	4.68760

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Chemistry

Molecular Structure of 2H-Indol-2-one,5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-,hydrochloride, hydrate (1:1:1) (CAS NO.138982-67-9):

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one hydrate hydrochloride
Empirical Formula: C₂₁H₂₄Cl₂N₄O₂S
Molecular Weight: 467.4119
CAS Registry Number: 138982-67-9
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 67.92 Å²
Flash Point: 289.3 °C
Melting point: 300 ºC
Enthalpy of Vaporization: 83.6 kJ/mol
Boiling Point: 554.8 °C at 760 mmHg
Vapour Pressure: 2.38E-12 mmHg at 25°C
InChI
InChI=1/C21H21ClN4OS.ClH.H2O/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;1H2
Smiles
c1(c2c(cccc2)sn1)N1CCN(CCc2cc3c(NC(C3)=O)cc2Cl)CC1.Cl.O
Classification Code: Antipsychotic

Specification

2H-Indol-2-one,5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-,hydrochloride, hydrate (1:1:1) , with CAS number of 138982-67-9, can be called 2H-indol-2-one, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-, hydrochloride, hydrate (1:1:1) ; 5-(2-(4-(1,2-benzisothiazol-3-yl)piperazinyl)ethyl)-6-chlorooxindole Monohydrochloride Monohydrate ; 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydro-2H-indol-2-on Monohydrochloride Monohydrate ; 5-{2-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one hydrochloride hydrate .