Chemical Properties of Prochlorperazine (CAS 58-38-8)

InChI

InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3

InChI Key

WIKYUJGCLQQFNW-UHFFFAOYSA-N

Formula

C20H24ClN3S

SMILES

CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

Molecular Weight¹

373.94

CAS

58-38-8

Other Names

• 10H-Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-
• 2-Chloro-10-(3-(1-methyl-4-piperazinyl)-propyl)-phenothiazine
• 2-Chloro-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine
• 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
• 3-Chloro-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine
• 6140 R.P.
• 6140 RP
• Bayer A 173
• Capazine
• Chlormeprazine
• Chloro-3 (N-methylpiperazinyl-3 propyl)-10 phenothiazine
• Chlorperazine
• Compazine
• Emelent
• Kronocin
• Meterazin
• Meterazine
• N-(«gamma»-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine
• N-(«gamma»-(4'-Methylpiperazinyl-1')propyl)-3-chlorophenothiazine
• Nipodal
• Novamin
• Phenothiazine, 2-chloro-10-[3-(1-methyl-4-piperazinyl)propyl]-
• Phenothiazine, 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-
• Proazine
• Prochloroperazine
• Prochlorpemazine
• Prochlorperazin
• Prochlorpromazine
• Procloperazine
• Proclorperazine
• RP-6140
• SKF 4657
• Stemetil
• Tementil
• Temetid

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7266		Relay (... Calculated Property
ΔfG°	430.96	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	194.38	kJ/mol	Relay (... Calculated Property
ΔvapH°	125.87	kJ/mol	Relay (... Calculated Property
IE	[7.03; 7.25]	eV
IE	7.03 ± 0.07	eV	NIST
IE	7.25	eV	NIST
log10WS	-4.40		Aq. Sol...
logPoct/wat	4.580		Crippen Calculated Property
McVol	281.950	ml/mol	McGowan Calculated Property
Pc	1565.86	kPa	Relay (... Calculated Property ⚠️
Inp	[2921.00; 2997.00]
Inp	2965.00		NIST
Inp	2970.00		NIST
Inp	2937.00		NIST
Inp	2954.00		NIST
Inp	2983.00		NIST
Inp	2985.00		NIST
Inp	2970.00		NIST
Inp	2997.00		NIST
Inp	2921.00		NIST
Inp	2954.00		NIST
Inp	2970.00		NIST
Inp	2937.00		NIST
Inp	2954.00		NIST
Tboil	744.15	K	Relay (... Calculated Property
Tc	1007.71	K	Relay (... Calculated Property
Tfus	382.73	K	Relay (... Calculated Property
Vc	1.011	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Prochlorperazine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.