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2D Structure
Also known as: 4784-40-1, N,n,beta-trimethyl-10h-phenothiazine-10-propylamine 5,5-dioxide monohydrochloride, 6bok44g9k6, 3-(5,5-dioxophenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride, N,n,beta-trimethyl-10h-phenothiazine-10-propylamine5,5-dioxidemonohydrochloride, Einecs 225-330-4
Molecular Formula
C18H23ClN2O2S
Molecular Weight
366.9  g/mol
InChI Key
NPMMOYKGIWLASW-UHFFFAOYSA-N
FDA UNII
6BOK44G9K6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C18H22N2O2S.ClH/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20;/h4-11,14H,12-13H2,1-3H3;1H
2.1.3 InChI Key
NPMMOYKGIWLASW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C.Cl
2.2 Other Identifiers
2.2.1 UNII
6BOK44G9K6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4784-40-1

2. N,n,beta-trimethyl-10h-phenothiazine-10-propylamine 5,5-dioxide Monohydrochloride

3. 6bok44g9k6

4. 3-(5,5-dioxophenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride

5. N,n,beta-trimethyl-10h-phenothiazine-10-propylamine5,5-dioxidemonohydrochloride

6. Einecs 225-330-4

7. Ncgc00182075-03

8. Unii-6bok44g9k6

9. Oxomemazine Hcl

10. Dsstox_cid_28538

11. Dsstox_rid_82810

12. Dsstox_gsid_48612

13. Schembl4420096

14. Chembl3187201

15. Dtxsid2048612

16. Tox21_112947

17. Oxomemazine Hydrochloride [who-dd]

18. Cas-4784-40-1

19. Q27264452

20. 10h-phenothiazine-10-propanamine, N,n,.beta.-trimethyl-, 5,5-dioxide, Hydrochloride (1:1)

21. 10h-phenothiazine-10-propanamine, N,n,.beta.-trimethyl-, 5,5-dioxide, Monohydrochloride

22. 13718-11-1

23. Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-, 5,5-dioxide, Monohydrochloride

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 366.9 g/mol
Molecular Formula C18H23ClN2O2S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass366.1168768 g/mol
Monoisotopic Mass366.1168768 g/mol
Topological Polar Surface Area49 Ų
Heavy Atom Count24
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2