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Chemistry

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Also known as: 4185-80-2, Rac methotrimeprazine hydrochloride, Methotrimeprazine hydrochloride, 3-(2-methoxyphenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride, Schembl1611636, Dtxsid20924552

Molecular Formula

C₁₉H₂₅ClN₂OS

Molecular Weight

364.9 g/mol

InChI Key

ODLGFPIWRAEFAN-UHFFFAOYSA-N

1 2D Structure

Methotrimeprazine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C19H24N2OS.ClH/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;1H

2.1.3 InChI Key

ODLGFPIWRAEFAN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4185-80-2

2. Rac Methotrimeprazine Hydrochloride

3. Methotrimeprazine Hydrochloride

4. 3-(2-methoxyphenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride

5. Schembl1611636

6. Dtxsid20924552

7. Akos030253172

8. Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-2-methoxy-, Monohydrochloride

9. Ft-0671143

10. 236l993

11. 10-(3-dimethylamino-2-methylpropyl)-2-methoxyphenothiazine, Hydrochloride

12. 3-(2-methoxy-10h-phenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₅ClN₂OS
Molecular Weight	364.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	364.1376123 g/mol
Monoisotopic Mass	364.1376123 g/mol
Topological Polar Surface Area	41 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	378
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2