SEP-363856
1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
Molecular Identity
SEP-363856
1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
PubChem CID: 89532783
Ulotaront is a member of the class of thienopyrans that is 4,7-dihydro-5H-thieno[2,3-c]pyran substituted by a (methylamino)methyl at position 7S. It is a trace amine-associated receptor 1 and serotonin 5-HT1A receptors agonist that has demonstrated efficacy in the treatment of patients with schizophrenia. It has a role as a trace amine-associated receptor 1 agonist, an antidepressant, a psychotropic drug, an antipsychotic agent and a serotonergic agonist. It is a thienopyran and a secondary amino compound.
2D Structure
Properties
C9H13NOS
Molecular Formula
183.27
Molecular Weight
g/mol
183.0718
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
49.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
153
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SEP-363856Ulotaront1310426-33-5SEP-8563K6270MG595H-Thieno(2,3-C)pyran-7-methanamine, 4,7-dihydro-N-methyl-, (7S)-5H-Thieno[2,3-c]pyran-7-methanamine, 4,7-dihydro-N-methyl-, (7S)-RefChem:182411methyl((((7S)-4H,5H,7H-thieno(2,3-c)pyran-7-yl)methyl))amineUNII-3K6270MG591-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamineSEP363856(S)-1-(5,7-Dihydro-4H-thieno(2,3-C)pyran-7-yl)-N-methylmethanamine1-[(7S)-4,7-dihydro-5H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine
Data from PubChem (NCBI)
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