Details
Stereochemistry | RACEMIC |
Molecular Formula | C13H22N4O4S |
Molecular Weight | 330.403 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
CNC(NCC[S+]([O-])CC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O
InChI
InChIKey=SKHXRNHSZTXSLP-UHFFFAOYSA-N
InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3
Molecular Formula | C13H22N4O4S |
Molecular Weight | 330.403 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:48:51 GMT 2023
by
admin
on
Sat Dec 16 04:48:51 GMT 2023
|
Record UNII |
TK8SB999BQ
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
73851-70-4
Created by
admin on Sat Dec 16 04:48:51 GMT 2023 , Edited by admin on Sat Dec 16 04:48:51 GMT 2023
|
PRIMARY | |||
|
TK8SB999BQ
Created by
admin on Sat Dec 16 04:48:51 GMT 2023 , Edited by admin on Sat Dec 16 04:48:51 GMT 2023
|
PRIMARY | |||
|
62986
Created by
admin on Sat Dec 16 04:48:51 GMT 2023 , Edited by admin on Sat Dec 16 04:48:51 GMT 2023
|
PRIMARY | |||
|
DTXSID90891464
Created by
admin on Sat Dec 16 04:48:51 GMT 2023 , Edited by admin on Sat Dec 16 04:48:51 GMT 2023
|
PRIMARY | |||
|
1598700
Created by
admin on Sat Dec 16 04:48:51 GMT 2023 , Edited by admin on Sat Dec 16 04:48:51 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> METABOLITE INACTIVE |
URINE
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|