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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 Listed Suppliers

2 API Suppliers
2 Listed Suppliers

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 Europe

1 FDF Dossiers
1 Europe

Synopsis

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Chemistry

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Also known as: Dorevane, Indorm, 3568-23-8, Phenoctyl, Propavan, Propiomazine hydrogen maleate

Molecular Formula

C₂₄H₂₈N₂O₅S

Molecular Weight

456.6 g/mol

InChI Key

ILEKKZUHFYUQIE-BTJKTKAUSA-N

FDA UNII

OEY0ZC43SA

1 2D Structure

Propiomazine Maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

2.1.2 InChI

InChI=1S/C20H24N2OS.C4H4O4/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;5-3(6)1-2-4(7)8/h6-12,14H,5,13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

2.1.3 InChI Key

ILEKKZUHFYUQIE-BTJKTKAUSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

OEY0ZC43SA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dorevane

2. Indorm

3. 3568-23-8

4. Phenoctyl

5. Propavan

6. Propiomazine Hydrogen Maleate

7. Oey0zc43sa

8. (z)-but-2-enedioic Acid;1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

9. Propionylpromethazine Maleate

10. Einecs 222-661-6

11. Unii-oey0zc43sa

12. Propavan (tn)

13. 10-dimethylaminoisopropyl-2-propionylphenothiazine Maleate

14. 3-propionyl-10-dimethylamino-isopropylphenothiazine Maleate

15. 10-(2-dimethylaminopropyl)-2-propionylphenothiazine Maleate

16. 1-(10-(2-dimethylaminopropyl)-phenothiazin-2-yl)-1-propanone Maleate

17. Propiomazine Monomaleate

18. Schembl3863991

19. Hms500o18

20. Propiomazine Maleate [who-dd]

21. 1-propanone, 1-(10-(2-dimethylaminopropyl)-phenothiazin-2-yl)-, Maleate

22. D08439

23. Q27285621

24. 1-propanone, 1-(10-(2-(dimethylamino)propyl)-10h-phenothiazin-2-yl)-, (+/-), (2z)-2-butenedioate (1:1)

25. 1-propanone, 1-(10-(2-(dimethylamino)propyl)-10h-phenothiazin-2-yl)-, (2z)-2-butenedioate (1:1)

2.4 Create Date

2006-03-07

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₈N₂O₅S
Molecular Weight	456.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	456.17189317 g/mol
Monoisotopic Mass	456.17189317 g/mol
Topological Polar Surface Area	123 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2