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Chemistry

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Also known as: Sep-363856, Unii-3k6270mg59, Sep-856, 1310426-33-5, 1-[(7s)-5,7-dihydro-4h-thieno[2,3-c]pyran-7-yl]-n-methylmethanamine, 3k6270mg59
Molecular Formula
C9H13NOS
Molecular Weight
183.27  g/mol
InChI Key
ABDDQTDRAHXHOC-QMMMGPOBSA-N
FDA UNII
3K6270MG59

Ulotaront
SEP-363856 is a novel psychotropic drug being investigated for the treatment of schizophrenia. Unlike other drugs used for this condition, SEP-363856 does not bind to the dopamine D2 receptors, but exerts actions on the trace amineassociated receptor 1 (TAAR1) and 5-hydroxytryptamine type 1A (5-HT1A). SEP-363856 was developed by Sunovion pharmaceuticals. An initial clinical study has shown this drug may be effective against both positive and negative symptoms of schizophrenia. Negative symptoms of schizophrenia are more difficult to treat and may include flattened affect, anhedonia, and social withdrawal. Additional clinical trials of SEP-363856 are required to confirm the safety and efficacy of this drug.
1 2D Structure

Ulotaront

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
2.1.2 InChI
InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1
2.1.3 InChI Key
ABDDQTDRAHXHOC-QMMMGPOBSA-N
2.1.4 Canonical SMILES
CNCC1C2=C(CCO1)C=CS2
2.1.5 Isomeric SMILES
CNC[C@H]1C2=C(CCO1)C=CS2
2.2 Other Identifiers
2.2.1 UNII
3K6270MG59
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-((7s)-5,7-dihydro-4h-thieno(2,3-c)pyran-7-yl)-n-methylmethanamine

2. Sep-363856

2.3.2 Depositor-Supplied Synonyms

1. Sep-363856

2. Unii-3k6270mg59

3. Sep-856

4. 1310426-33-5

5. 1-[(7s)-5,7-dihydro-4h-thieno[2,3-c]pyran-7-yl]-n-methylmethanamine

6. 3k6270mg59

7. 5h-thieno(2,3-c)pyran-7-methanamine, 4,7-dihydro-n-methyl-, (7s)-

8. (s)-1-(5,7-dihydro-4h-thieno(2,3-c)pyran-7-yl)-n-methylmethanamine

9. Ulotaront [inn]

10. Chembl4650337

11. Schembl14903737

12. Gtpl10454

13. Sep-363856 (parent Molecule)

14. Sep363856

15. Zinc205013646

16. Hy-136109a

17. Example 129 [wo2011069063a2]

18. Cs-0119593

19. 1-((7s)-4,7-dihydro-5h-thieno(2,3-c)pyran-7-yl)-nmethylmethanamine

2.4 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 183.27 g/mol
Molecular Formula C9H13NOS
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass183.07178521 g/mol
Monoisotopic Mass183.07178521 g/mol
Topological Polar Surface Area49.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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