Chemical Properties of Methotrimeprazine (CAS 60-99-1)

InChI

InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1

InChI Key

VRQVVMDWGGWHTJ-AWEZNQCLSA-N

Formula

SMILES

COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2

Molecular Weight¹

328.47

CAS

60-99-1

Other Names

(-)-10-(3-(Dimethylamino)-2-methylpropyl)-2-methoxyphenothiazine
(-)-3-(2-Methoxyphenothiazin-10-yl)-2-methylpropyldimethylamine
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl-, (-)-
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl-, (R)-
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl-, («beta»R)-
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,Â«betaÂ»-trimethyl-, (-)-
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,Â«betaÂ»-trimethyl-, (R)-
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,Â«betaÂ»-trimethyl-, (Â«betaÂ»R)-
2-Methoxytrimeprazine
7044 R.P.
CL 36467
CL 39743
Hirnamin
Levomeprazine
Levomepromazin
Levomepromazine
Levopromazine
Levoprome
Levopromethazine
Levotomin
Mepromazine
NSC 226516
Neozine
Neurocil
Nirvan
Nozinan
Nozinane
Phenothiazine, 10-[3-(dimethylamino)-2-methylpropyl]-2-methoxy-, (-)-
RP 7044
SK&F 5116
SKF 5116
Sinogan
Sinogan-Debil
Tisercin
Veractil
XP 03

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).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7018		Relay (1.0) Calculated Property
Δ_fG°	296.98	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	33.53	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	108.95	kJ/mol	Relay (1.0) Calculated Property
IE	6.83	eV	Relay (1.0) Calculated Property
log₁₀WS	-4.22		Aq. Solubility Prediction
logP_oct/wat	4.496		Crippen Calculated Property
McVol	262.370	ml/mol	McGowan Calculated Property
P_c	1718.74	kPa	Relay (1.0-beta) Calculated Property
T_boil	707.86	K	Relay (1.0) Calculated Property
T_c	939.27	K	Relay (1.0) Calculated Property
T_fus	398.46	K	Relay (1.0) Calculated Property
V_c	0.928	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,«beta»-trimethyl-.

Levomepromazine M (nor-), monoacetylated.

Methoxypromazine.

Levomepromazine M (HO-), monoacetylated.

Alimemazine M (HO-), acetylated.

Levomepromazine M (nor-HO-), diacetylated.

Alimemazine M (nor-HO-), diacetylated.

Oxomemazine.

Pecazine M (HO-), monoacetylated.

Oxomemazine M (nor-), acetylated.

Pecazine M (nor-HO-), diacetylated.

Trimeprazine.

Mequitazine M (hydroxy-ring), acetylated.

Alimemazine M (nor-), monoacetylated.

10H-Phenothiazin-3-ol, 10-[3-(dimethylamino)propyl]-, acetate (ester).

Find more compounds similar to Methotrimeprazine.

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

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