Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H32N2O2.C4H6O6 |
Molecular Weight | 542.6206 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChIKey=ACRMUSVWIFZVSM-JTHHODAVSA-N
InChI=1S/C25H32N2O2.C4H6O6/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;5-1(3(7)8)2(6)4(9)10/h2-7,10-13,21H,8-9,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t21-;1-,2-/m11/s1
Molecular Formula | C25H32N2O2 |
Molecular Weight | 392.5338 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:16:49 UTC 2023
by
admin
on
Fri Dec 15 15:16:49 UTC 2023
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Record UNII |
J778U505W5
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C67413
Created by
admin on Fri Dec 15 15:16:49 UTC 2023 , Edited by admin on Fri Dec 15 15:16:49 UTC 2023
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Code System | Code | Type | Description | ||
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104959
Created by
admin on Fri Dec 15 15:16:49 UTC 2023 , Edited by admin on Fri Dec 15 15:16:49 UTC 2023
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PRIMARY | RxNorm | ||
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m4228
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admin on Fri Dec 15 15:16:49 UTC 2023 , Edited by admin on Fri Dec 15 15:16:49 UTC 2023
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PRIMARY | Merck Index | ||
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J778U505W5
Created by
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2922-44-3
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SUB01647MIG
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DTXSID1048918
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220-870-7
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100000087769
Created by
admin on Fri Dec 15 15:16:49 UTC 2023 , Edited by admin on Fri Dec 15 15:16:49 UTC 2023
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C76838
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92942
Created by
admin on Fri Dec 15 15:16:49 UTC 2023 , Edited by admin on Fri Dec 15 15:16:49 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |