Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H28N2O4S |
| Molecular Weight | 392.512 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCC(C)(C)N(CC(O)=O)C2=O
InChI
InChIKey=BJMKUWZXAYPFKO-HOTGVXAUSA-N
InChI=1S/C20H28N2O4S/c1-20(2)11-7-10-15(19(26)22(20)13-17(23)24)21-18(25)16(27-3)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,25)(H,23,24)/t15-,16-/m0/s1
| Molecular Formula | C20H28N2O4S |
| Molecular Weight | 392.512 |
| 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
Sat Dec 16 16:37:54 GMT 2023
by
admin
on
Sat Dec 16 16:37:54 GMT 2023
|
| Record UNII |
NY5K737R3L
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English | ||
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NY5K737R3L
Created by
admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
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908118-81-0
Created by
admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
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156596393
Created by
admin on Sat Dec 16 16:37:55 GMT 2023 , Edited by admin on Sat Dec 16 16:37:55 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
MAJOR
URINE
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PARENT -> METABOLITE |
The prominent metabolites in the 1-h human plasma before DTT reduction were M2, M13, and M14, which together accounted for 31% of the radioactivity.
MAJOR
PLASMA
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