Details
| Stereochemistry | MIXED |
| Molecular Formula | C21H22N4O7 |
| Molecular Weight | 442.422 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=NC=C(C(O)=O)C2=C1[C@H](C3=CC=C(C=C3OC)C#N)C(O)(C(N)=O)C(C)(O)N2
InChI
InChIKey=ZEARZJDOXMUTHJ-VUZGARFFSA-N
InChI=1S/C21H22N4O7/c1-4-32-17-14-15(11-6-5-10(8-22)7-13(11)31-3)21(30,19(23)28)20(2,29)25-16(14)12(9-24-17)18(26)27/h5-7,9,15,25,29-30H,4H2,1-3H3,(H2,23,28)(H,26,27)/t15-,20?,21?/m0/s1
| Molecular Formula | C21H22N4O7 |
| Molecular Weight | 442.422 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:11:07 GMT 2023
by
admin
on
Sat Dec 16 16:11:07 GMT 2023
|
| Record UNII |
J89R82BS37
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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J89R82BS37
Created by
admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
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PRIMARY | |||
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155929011
Created by
admin on Sat Dec 16 16:11:07 GMT 2023 , Edited by admin on Sat Dec 16 16:11:07 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
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PARENT -> METABOLITE |
URINE
|
