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2D Structure
Also known as: Thiethylperazine maleate, Tresten, Torecan maleate, 1179-69-7, Torecan bimaleate, Thiethylperazine maleate (200 mg)
Molecular Formula
C26H33N3O4S2
Molecular Weight
515.7  g/mol
InChI Key
FBZFLZSBKWFFRD-BTJKTKAUSA-N

Thiethylperazine Maleate is the maleate salt form of triethylperazine, a piperazine phenothiazine derivative and a dopamine antagonist used as antiemetic. Thiethylperazine blocks postsynaptic dopamine 2 (D2) receptors in the medullary chemoreceptor trigger zone (CTZ), thereby decreasing stimulation of the vomiting center in the brain. Peripherally, thiethylperazine blocks the vagus nerve in the gastrointestinal tract. In addition, this agent also shows antagonistic activities mediated through muscarinic receptors, H1-receptors, and alpha(1)-receptors.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(Z)-but-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
2.1.2 InChI
InChI=1S/C22H29N3S2.C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
2.1.3 InChI Key
FBZFLZSBKWFFRD-BTJKTKAUSA-N
2.1.4 Canonical SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Thiethylperazine Maleate

2. Tresten

3. Torecan Maleate

4. 1179-69-7

5. Torecan Bimaleate

6. Thiethylperazine Maleate (200 Mg)

7. (z)-but-2-enedioic Acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

8. Nsc130044

9. Thiethylperazinmaleat

10. Phenothiazine, Dimaleate

11. Phenothiazine, Maleate(1:2)

12. Gs95

13. Chembl1200856

14. Schembl10624613

15. Gs 95

16. 3-[(4-chlorophenyl)carbamoyl]benzeneboronicacid

17. 10h-phenothiazine, (z)-2-butenedioate (1:2)

18. 10h-phenothiazine, (z)-, 2-butenedioate (1:2)

19. Wln: T C666 Bn Isj Es2 B3- At6n Dntj D1 &ov1u1vo

20. 2-(ethylmercapto)-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine Dimaleate

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 515.7 g/mol
Molecular Formula C26H33N3O4S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass515.19124889 g/mol
Monoisotopic Mass515.19124889 g/mol
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2