Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H31N5O3.ClH |
| Molecular Weight | 437.963 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.O[C@@H]1C(=O)N(CCCCN2CCN(CC2)C3=NC=CC=N3)C(=O)CC14CCCC4
InChI
InChIKey=QQVBLEXAVSAUDT-GMUIIQOCSA-N
InChI=1S/C21H31N5O3.ClH/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9,18,28H,1-4,6-7,10-16H2;1H/t18-;/m1./s1
| Molecular Formula | C21H31N5O3 |
| Molecular Weight | 401.5025 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
BMS-442606 is an S-enantiomer of 6-hydroxybuspirone and is a 5-HT1A partial agonist. BMS-442606 has advantage of being cleared more slowly from blood compared to the R-enantiomer, but R form showed higher affinity and selectivity for the 5HT1A receptor compared to the S-isomer. Because both isomers together with racemic form were well tolerated and was not found any advantage of one of the enantiomers of over the racemic form. Finally, racemic form was chosen for further clinical development.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:36:24 GMT 2023
by
admin
on
Fri Dec 15 15:36:24 GMT 2023
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| Record UNII |
ZF7MCG33V0
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| Record Status |
Validated (UNII)
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| Record Version |
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91826494
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2108875-94-9
Created by
admin on Fri Dec 15 15:36:24 GMT 2023 , Edited by admin on Fri Dec 15 15:36:24 GMT 2023
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