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Technical details about ALTANSERIN TARTRATE, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 79449-96-0, Altanserin tartrate [usan], 9p204che8j, 4(1h)-quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, (r-(r*,r*))-2,3-dihydroxybutanedioate, Altanserin tartrate (usan), 3-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1h,3h)-quinazolinedione l-(+)-tartrate (1:1)
Molecular Formula
C26H28FN3O8S
Molecular Weight
561.6  g/mol
InChI Key
VZGOQPXIRAHJLV-LREBCSMRSA-N
FDA UNII
9P204CHE8J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C22H22FN3O2S.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
2.1.3 InChI Key
VZGOQPXIRAHJLV-LREBCSMRSA-N
2.1.4 Canonical SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.C(C(C(=O)O)O)(C(=O)O)O
2.1.5 Isomeric SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
9P204CHE8J
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Altanserin

2.3.2 Depositor-Supplied Synonyms

1. 79449-96-0

2. Altanserin Tartrate [usan]

3. 9p204che8j

4. 4(1h)-quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, (r-(r*,r*))-2,3-dihydroxybutanedioate

5. Altanserin Tartrate (usan)

6. 3-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1h,3h)-quinazolinedione L-(+)-tartrate (1:1)

7. R-53,200

8. Unii-9p204che8j

9. R-53200

10. Einecs 279-159-5

11. Schembl124036

12. Dtxsid20229675

13. D02836

14. Q27272848

15. (2r,3r)-2,3-dihydroxybutanedioic Acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1h-quinazolin-4-one

16. 3-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-2-thioxoquinazolin-4(1h)-one (r-(r*,r*))-tartrate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 561.6 g/mol
Molecular Formula C26H28FN3O8S
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass561.15811420 g/mol
Monoisotopic Mass561.15811420 g/mol
Topological Polar Surface Area200 Ų
Heavy Atom Count39
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Contrast Media

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)


Serotonin Antagonists

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)


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