Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H21NO4.C4H5O6.Na |
| Molecular Weight | 475.4216 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O.COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C
InChI
InChIKey=QMIQMCQMQRKRCG-RUVAMWTBSA-M
InChI=1S/C17H21NO4.C4H6O6.Na/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10;/h3-7,12-15H,8-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);/q;;+1/p-1/t12-,13+,14-,15-;1-,2-;/m01./s1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H5O6 |
| Molecular Weight | 149.0789 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.3529 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:55:57 GMT 2025
by
admin
on
Mon Mar 31 21:55:57 GMT 2025
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| Record UNII |
757O941EON
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| Record Status |
Validated (UNII)
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| Record Version |
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m9290
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PRIMARY | Merck Index | ||
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73425455
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67465-00-3
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757O941EON
Created by
admin on Mon Mar 31 21:55:57 GMT 2025 , Edited by admin on Mon Mar 31 21:55:57 GMT 2025
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