Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H31ClFN3O5 |
| Molecular Weight | 592.057 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@]1(OC2=CC=CC(C3CCN(CC4=NC5=C(C=C(C=C5)C(O)=O)N4C[C@@H]6CCO6)CC3)=C2O1)C7=CC=C(Cl)C=C7F
InChI
InChIKey=PVJIBTUECCAKKZ-ICACTRECSA-N
InChI=1S/C32H31ClFN3O5/c1-32(24-7-6-21(33)16-25(24)34)41-28-4-2-3-23(30(28)42-32)19-9-12-36(13-10-19)18-29-35-26-8-5-20(31(38)39)15-27(26)37(29)17-22-11-14-40-22/h2-8,15-16,19,22H,9-14,17-18H2,1H3,(H,38,39)/t22-,32-/m0/s1
| Molecular Formula | C32H31ClFN3O5 |
| Molecular Weight | 592.057 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:11:09 GMT 2025
by
admin
on
Wed Apr 02 18:11:09 GMT 2025
|
| Record UNII |
9YQP6C9K96
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
146608986
Created by
admin on Wed Apr 02 18:11:09 GMT 2025 , Edited by admin on Wed Apr 02 18:11:09 GMT 2025
|
PRIMARY | |||
|
9YQP6C9K96
Created by
admin on Wed Apr 02 18:11:09 GMT 2025 , Edited by admin on Wed Apr 02 18:11:09 GMT 2025
|
PRIMARY | |||
|
2401892-71-3
Created by
admin on Wed Apr 02 18:11:09 GMT 2025 , Edited by admin on Wed Apr 02 18:11:09 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> AGONIST |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|
![Structure of 2-[[4-[(2S)-2-(4-Chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-1-piperidinyl]methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid](/img/e0b8f2a8-0948-46af-94ae-3f7e3616e67b.svg "Structure of 2-[[4-[(2S)-2-(4-Chloro-2-fluorophenyl)-2-methyl-1,3-benzodioxol-4-yl]-1-piperidinyl]methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid")