Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C19H17NO3S |
| Molecular Weight | 339.408 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)CC[S+]([O-])C2=CC=C(C=C12)C#CC3=CC=C(C=N3)C(O)=O
InChI
InChIKey=SMCJVZRFBIOWHW-UHFFFAOYSA-N
InChI=1S/C19H17NO3S/c1-19(2)9-10-24(23)17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)
| Molecular Formula | C19H17NO3S |
| Molecular Weight | 339.408 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:16:52 GMT 2025
by
admin
on
Mon Mar 31 22:16:52 GMT 2025
|
| Record UNII |
W749S0254J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
DTXSID50735931
Created by
admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
|
PRIMARY | |||
|
66870917
Created by
admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
|
PRIMARY | |||
|
603952-64-3
Created by
admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
|
PRIMARY | |||
|
W749S0254J
Created by
admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE INACTIVE |