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Trimeprazine Tartrate
Also known as: Trimeprazine tartrate, 4330-99-8, Trimeprazine hemitartrate salt, Nsc-17475, Nsc-757358, Prestwick_144
Molecular Formula
C40H50N4O6S2
Molecular Weight
747.0  g/mol
InChI Key
AJZJIYUOOJLBAU-UHFFFAOYSA-N

1 2D Structure

Trimeprazine Tartrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
2.1.2 InChI
InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
2.1.3 InChI Key
AJZJIYUOOJLBAU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Temaril

2. Theralen

3. Theraline

4. Trimeprazine Tartrate

2.2.2 Depositor-Supplied Synonyms

1. Trimeprazine Tartrate

2. 4330-99-8

3. Trimeprazine Hemitartrate Salt

4. Nsc-17475

5. Nsc-757358

6. Prestwick_144

7. Chembl3989885

8. Hms1570j05

9. Hms3714j05

10. Trimeprazine Hemi-(+)-tartrate Salt

11. Ccg-220842

2.3 Create Date
2006-04-14
3 Chemical and Physical Properties
Molecular Weight 747.0 g/mol
Molecular Formula C40H50N4O6S2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass746.31717767 g/mol
Monoisotopic Mass746.31717767 g/mol
Topological Polar Surface Area179 Ų
Heavy Atom Count52
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Histamine H1 Antagonists

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood. (See all compounds classified as Histamine H1 Antagonists.)


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