Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PN9R
|
|||
| Former ID |
DNC007402
|
|||
| Drug Name |
R-226161
|
|||
| Synonyms |
R-226161; UNII-0878P6YAG6; CHEMBL318235; 0878P6YAG6; SCHEMBL16583684; BDBM50146518; cis-(+)-7,8-dimethoxy-3-[4-(2-methyl-3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole; 3H-(1)Benzopyrano(4,3-C)isoxazole, 3-((4-((2E)-3-(4-fluorophenyl)-2-methyl-2-propen-1-yl)-1-piperazinyl)methyl)-3a,4-dihydro-7,8-dimethoxy-, (cis)-(+)-; (3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C27H32FN3O4
|
|||
| Canonical SMILES |
CC(=CC1=CC=C(C=C1)F)CN2CCN(CC2)CC3C4COC5=CC(=C(C=C5C4=NO3)OC)OC
|
|||
| InChI |
1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
|
|||
| InChIKey |
UCNOTTVNPRSTFW-XSFNXXSESA-N
|
|||
| CAS Number |
CAS 452314-01-1
|
|||
| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Tricyclic isoxazolines: identification of R226161 as a potential new antidepressant that combines potent serotonin reuptake inhibition and alpha2-a... Bioorg Med Chem. 2007 Jun 1;15(11):3649-60. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.