Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H27N4O10 |
| Molecular Weight | 447.4171 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
CC1=NC=C(N1C[C@H](O)C[N+]2(CCOCC2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[N+]([O-])=O
InChI
InChIKey=MSNJQDHVNRIESI-RCECBESJSA-O
InChI=1S/C17H26N4O10/c1-9-18-6-11(20(28)29)19(9)7-10(22)8-21(2-4-30-5-3-21)16-14(25)12(23)13(24)15(31-16)17(26)27/h6,10,12-16,22-25H,2-5,7-8H2,1H3/p+1/t10-,12-,13-,14+,15-,16+/m0/s1
| Molecular Formula | C17H27N4O10 |
| Molecular Weight | 447.4171 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 06:23:57 GMT 2025
by
admin
on
Wed Apr 02 06:23:57 GMT 2025
|
| Record UNII |
Q9YD755CGJ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English | ||
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Q9YD755CGJ
Created by
admin on Wed Apr 02 06:23:57 GMT 2025 , Edited by admin on Wed Apr 02 06:23:57 GMT 2025
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1413431-52-3
Created by
admin on Wed Apr 02 06:23:57 GMT 2025 , Edited by admin on Wed Apr 02 06:23:57 GMT 2025
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145996713
Created by
admin on Wed Apr 02 06:23:57 GMT 2025 , Edited by admin on Wed Apr 02 06:23:57 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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IONIC MOIETY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
PLASMA; URINE
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