Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C13H17O2.Al.HO |
Molecular Weight | 454.5346 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | IBUPROFEN |
SHOW SMILES / InChI
SMILES
[OH-].[Al+3].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O.CC(C)CC2=CC=C(C=C2)C(C)C([O-])=O
InChI
InChIKey=QAZIXAUMDFPQRW-UHFFFAOYSA-K
InChI=1S/2C13H18O2.Al.H2O/c2*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h2*4-7,9-10H,8H2,1-3H3,(H,14,15);;1H2/q;;+3;/p-3
Molecular Formula | C13H17O2 |
Molecular Weight | 205.2729 |
Charge | -1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 | Al |
Molecular Weight | 26.9815 |
Charge | 3 |
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 16:41:29 UTC 2023
by
admin
on
Fri Dec 15 16:41:29 UTC 2023
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Record UNII |
D0YGZ1VO1B
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Record Status |
Validated (UNII)
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Record Version |
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-
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D0YGZ1VO1B
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DBSALT002285
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C174664
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9890190
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DTXSID001316141
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61054-06-6
Created by
admin on Fri Dec 15 16:41:29 UTC 2023 , Edited by admin on Fri Dec 15 16:41:29 UTC 2023
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ACTIVE MOIETY |