Details
Stereochemistry | ACHIRAL |
Molecular Formula | C28H40N4O5 |
Molecular Weight | 512.641 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCN1C(=O)[C@H]2C(=O)N(CCCCN3CCN(CC3)C4=C(OC)C=CC=C4)C(=O)[C@@H](C1=O)C2(C)C
InChI
InChIKey=BXNRTMZZILHVNJ-ZRZAMGCNSA-N
InChI=1S/C28H40N4O5/c1-5-6-14-31-24(33)22-26(35)32(27(36)23(25(31)34)28(22,2)3)15-10-9-13-29-16-18-30(19-17-29)20-11-7-8-12-21(20)37-4/h7-8,11-12,22-23H,5-6,9-10,13-19H2,1-4H3/t22-,23+
Molecular Formula | C28H40N4O5 |
Molecular Weight | 512.641 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Umespirone [KC 9172, KC 7218] is a serotonin 1A receptor agonist that was undergoing phase I clinical trials with Solvay in the Netherlands as a potential treatment for anxiety and psychotic disorders. Umespirone prevented the behavioural consequences of withdrawal from diazepam. Umespirone also had an anxiolytic profile of action in the tests of rat social interaction and in the marmoset exposed to a human threat. Umespirone reduced the hyperactivity induced by the infusion of dopamine into the nucleus accumbens of rat. In radioligand binding assays umespirone demonstrated nanomolar affinity for the alpha 1-adrenoceptor and the 5-HT1A and dopamine D2 receptors.
Originator
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/7957544
Healthy men: single doses of umespirone (20 mg and 80 mg)
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:48:37 GMT 2023
by
admin
on
Fri Dec 15 15:48:37 GMT 2023
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Record UNII |
FG0A3VRL5K
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Record Status |
Validated (UNII)
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Record Version |
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29710
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NCI_THESAURUS |
C28197
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admin on Fri Dec 15 15:48:37 GMT 2023 , Edited by admin on Fri Dec 15 15:48:37 GMT 2023
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DTXSID30869480
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100000076660
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FG0A3VRL5K
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SUB11380MIG
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C152798
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6337
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CHEMBL2107677
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C059363
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107736-98-1
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Umespirone
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70695676
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Related Record | Type | Details | ||
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ACTIVE MOIETY |