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=CC=CC=C4OC)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
Mon Mar 31 18:09:26 GMT 2025
by
admin
on
Mon Mar 31 18:09:26 GMT 2025
|
| Record UNII |
FG0A3VRL5K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Official Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C29710
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
||
|
NCI_THESAURUS |
C28197
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
DTXSID30869480
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
100000076660
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
FG0A3VRL5K
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
SUB11380MIG
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
C152798
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
6337
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
CHEMBL2107677
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
C059363
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
107736-98-1
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
Umespirone
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY | |||
|
70695676
Created by
admin on Mon Mar 31 18:09:26 GMT 2025 , Edited by admin on Mon Mar 31 18:09:26 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |