Oxomemazine Hydrochloride

Synopsis, Chemistry

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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

Oxomemazine Hydrochloride

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 Formula	C₁₈H₂₃ClN₂O₂S
Molecular Weight	366.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	366.1168768 g/mol
Monoisotopic Mass	366.1168768 g/mol
Topological Polar Surface Area	49 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	470
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