Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H22N2O2.C4H6O6 |
Molecular Weight | 484.4984 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=CC=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]
InChI
InChIKey=PGGUONMZSOQBBJ-GVAHOCCNSA-N
InChI=1S/C21H22N2O2.C4H6O6/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;5-1(3(7)8)2(6)4(9)10/h1-5,13,16-17,19-20H,6-11H2;1-2,5-6H,(H,7,8)(H,9,10)/t13-,16-,17-,19-,20-,21+;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 | C21H22N2O2 |
Molecular Weight | 334.4116 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:05:54 GMT 2023
by
admin
on
Fri Dec 15 15:05:54 GMT 2023
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Record UNII |
TZ0FIT0V3G
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Record Status |
Validated (UNII)
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Record Version |
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-
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10289-23-3
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admin on Fri Dec 15 15:05:54 GMT 2023 , Edited by admin on Fri Dec 15 15:05:54 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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72941515
Created by
admin on Fri Dec 15 15:05:54 GMT 2023 , Edited by admin on Fri Dec 15 15:05:54 GMT 2023
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PRIMARY | |||
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17140-58-8
Created by
admin on Fri Dec 15 15:05:54 GMT 2023 , Edited by admin on Fri Dec 15 15:05:54 GMT 2023
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PRIMARY | |||
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TZ0FIT0V3G
Created by
admin on Fri Dec 15 15:05:54 GMT 2023 , Edited by admin on Fri Dec 15 15:05:54 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |