Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H23Cl2N3O2S |
| Molecular Weight | 464.408 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[N+]1([O-])CCN(CC1)C2=CC=CC=C2\C=C3/SCCN(C3=O)C4=CC(Cl)=C(Cl)C=C4
InChI
InChIKey=NTVFZSKOMHUELL-STZFKDTASA-N
InChI=1S/C22H23Cl2N3O2S/c1-27(29)11-8-25(9-12-27)20-5-3-2-4-16(20)14-21-22(28)26(10-13-30-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14-
| Molecular Formula | C22H24Cl2N3O2S |
| Molecular Weight | 465.416 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:26:49 UTC 2023
by
admin
on
Sat Dec 16 16:26:49 UTC 2023
|
| Record UNII |
CQY99G9NKE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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CQY99G9NKE
Created by
admin on Sat Dec 16 16:26:49 UTC 2023 , Edited by admin on Sat Dec 16 16:26:49 UTC 2023
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11518324
Created by
admin on Sat Dec 16 16:26:49 UTC 2023 , Edited by admin on Sat Dec 16 16:26:49 UTC 2023
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1809092-96-3
Created by
admin on Sat Dec 16 16:26:49 UTC 2023 , Edited by admin on Sat Dec 16 16:26:49 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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URINE
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PARENT -> METABOLITE |
sum of M5 and M6 counted for 5.6% of the administered dose in feces
FECAL
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PARENT -> METABOLITE |
PLASMA
|
