Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H29N3O6 |
| Molecular Weight | 431.4822 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[N+](C)(CCN(CC1=CC=CC=C1)C2=CC=CC=N2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O
InChI
InChIKey=PAYFYCLCAWTSBX-JRSUCEMESA-N
InChI=1S/C22H29N3O6/c1-25(2,21-19(28)17(26)18(27)20(31-21)22(29)30)13-12-24(16-10-6-7-11-23-16)14-15-8-4-3-5-9-15/h3-11,17-21,26-28H,12-14H2,1-2H3/t17-,18-,19+,20-,21+/m0/s1
| Molecular Formula | C22H29N3O6 |
| Molecular Weight | 431.4822 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| 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 15:07:34 GMT 2023
by
admin
on
Sat Dec 16 15:07:34 GMT 2023
|
| Record UNII |
H85E0ERU4B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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146048035
Created by
admin on Sat Dec 16 15:07:34 GMT 2023 , Edited by admin on Sat Dec 16 15:07:34 GMT 2023
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60507-62-2
Created by
admin on Sat Dec 16 15:07:34 GMT 2023 , Edited by admin on Sat Dec 16 15:07:34 GMT 2023
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PRIMARY | |||
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H85E0ERU4B
Created by
admin on Sat Dec 16 15:07:34 GMT 2023 , Edited by admin on Sat Dec 16 15:07:34 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
URINE
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