Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C11H17NO3.C4H6O6.2H2O |
| Molecular Weight | 397.375 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)NC[C@H](O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=NVZIDXBMQRLXDA-VSCZPGMESA-N
InChI=1S/C11H17NO3.C4H6O6.2H2O/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;5-1(3(7)8)2(6)4(9)10;;/h3-5,7,11-15H,6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t11-;1-,2-;;/m01../s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:39:54 GMT 2025
by
admin
on
Mon Mar 31 22:39:54 GMT 2025
|
| Record UNII |
UH1RK465QS
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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UH1RK465QS
Created by
admin on Mon Mar 31 22:39:54 GMT 2025 , Edited by admin on Mon Mar 31 22:39:54 GMT 2025
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PRIMARY | |||
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m6533
Created by
admin on Mon Mar 31 22:39:54 GMT 2025 , Edited by admin on Mon Mar 31 22:39:54 GMT 2025
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PRIMARY | Merck Index | ||
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76965635
Created by
admin on Mon Mar 31 22:39:54 GMT 2025 , Edited by admin on Mon Mar 31 22:39:54 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
