Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H29N4O6S |
| Molecular Weight | 489.565 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CC1=CC2=C(NC3=CC=CC=C3N=C2N4CC[N+](C)(CC4)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)S1
InChI
InChIKey=TYDOWDWSLBLZGX-KSSXRGRSSA-O
InChI=1S/C23H28N4O6S/c1-12-11-13-20(24-14-5-3-4-6-15(14)25-21(13)34-12)26-7-9-27(2,10-8-26)22-18(30)16(28)17(29)19(33-22)23(31)32/h3-6,11,16-19,22,28-30H,7-10H2,1-2H3,(H-,24,25,31,32)/p+1/t16-,17-,18+,19-,22+/m0/s1
| Molecular Formula | C23H28N4O6S |
| Molecular Weight | 488.557 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:10:36 GMT 2023
by
admin
on
Sat Dec 16 10:10:36 GMT 2023
|
| Record UNII |
T148R8S95B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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T148R8S95B
Created by
admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
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PRIMARY | |||
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186792-79-0
Created by
admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
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135564982
Created by
admin on Sat Dec 16 10:10:36 GMT 2023 , Edited by admin on Sat Dec 16 10:10:36 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
