Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H25ClN2O4 |
| Molecular Weight | 404.887 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)COCC[N+]1([O-])CCN(CC1)[C@H](C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=IVDOUUOLLFEMJQ-OAQYLSRUSA-N
InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
| Molecular Formula | C21H25ClN2O4 |
| Molecular Weight | 404.887 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:43:38 GMT 2025
by
admin
on
Mon Mar 31 22:43:38 GMT 2025
|
| Record UNII |
3937I0I7JC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
3937I0I7JC
Created by
admin on Mon Mar 31 22:43:38 GMT 2025 , Edited by admin on Mon Mar 31 22:43:38 GMT 2025
|
PRIMARY | |||
|
29975673
Created by
admin on Mon Mar 31 22:43:38 GMT 2025 , Edited by admin on Mon Mar 31 22:43:38 GMT 2025
|
PRIMARY | |||
|
442863-80-1
Created by
admin on Mon Mar 31 22:43:38 GMT 2025 , Edited by admin on Mon Mar 31 22:43:38 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |