Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H9NO3.2Na.2H2O |
| Molecular Weight | 261.1828 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].[Na+].N[C@@H](CC1=CC=C([O-])C=C1)C([O-])=O
InChI
InChIKey=WFTCFVUQORELJZ-USHJOAKVSA-L
InChI=1S/C9H11NO3.2Na.2H2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;2*1H2/q;2*+1;;/p-2/t8-;;;;/m0..../s1
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Fri Dec 15 19:09:48 UTC 2023
by
admin
on
Fri Dec 15 19:09:48 UTC 2023
|
| Record UNII |
5RFD27DQ22
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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SUB180155
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100000166121
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5RFD27DQ22
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DTXSID50153676
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71587456
Created by
admin on Fri Dec 15 19:09:48 UTC 2023 , Edited by admin on Fri Dec 15 19:09:48 UTC 2023
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122666-87-9
Created by
admin on Fri Dec 15 19:09:48 UTC 2023 , Edited by admin on Fri Dec 15 19:09:48 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |