Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H31N5O7 |
| Molecular Weight | 477.5108 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCNC(=N)N(\N=C\C1=CNC2=C1C=C(OC)C=C2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O
InChI
InChIKey=JJWBHOCWYANBNG-FHRXTUDJSA-N
InChI=1S/C22H31N5O7/c1-3-4-5-8-24-22(23)27(20-18(30)16(28)17(29)19(34-20)21(31)32)26-11-12-10-25-15-7-6-13(33-2)9-14(12)15/h6-7,9-11,16-20,25,28-30H,3-5,8H2,1-2H3,(H2,23,24)(H,31,32)/b26-11+/t16-,17-,18+,19-,20+/m0/s1
| Molecular Formula | C22H31N5O7 |
| Molecular Weight | 477.5108 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:39:40 UTC 2023
by
admin
on
Sat Dec 16 15:39:40 UTC 2023
|
| Record UNII |
XEM7FN2PHE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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156614020
Created by
admin on Sat Dec 16 15:39:41 UTC 2023 , Edited by admin on Sat Dec 16 15:39:41 UTC 2023
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PRIMARY | |||
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XEM7FN2PHE
Created by
admin on Sat Dec 16 15:39:41 UTC 2023 , Edited by admin on Sat Dec 16 15:39:41 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In human liver slices, direct N-glucuronidation of tegaserod at the guanidine nitrogens (M43.2, M43.8, and M45.3) was found, with M43.8 being the major metabolite
MAJOR
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