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2D Structure
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

2D Structure

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 Weight 364.9 g/mol
Molecular Formula C19H25ClN2OS
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass364.1376123 g/mol
Monoisotopic Mass364.1376123 g/mol
Topological Polar Surface Area41 Ų
Heavy Atom Count24
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2