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 | C17H21NO4 |
Molecular Weight | 303.3529 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
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 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:11:49 GMT 2023
by
admin
on
Sat Dec 16 08:11:49 GMT 2023
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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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-
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m9290
Created by
admin on Sat Dec 16 08:11:49 GMT 2023 , Edited by admin on Sat Dec 16 08:11:49 GMT 2023
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PRIMARY | Merck Index | ||
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73425455
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67465-00-3
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admin on Sat Dec 16 08:11:49 GMT 2023 , Edited by admin on Sat Dec 16 08:11:49 GMT 2023
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757O941EON
Created by
admin on Sat Dec 16 08:11:49 GMT 2023 , Edited by admin on Sat Dec 16 08:11:49 GMT 2023
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