Details
Stereochemistry | EPIMERIC |
Molecular Formula | C19H19N.C4H6O6 |
Molecular Weight | 411.4477 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4
InChI
InChIKey=WFXURHIXPXVPGM-LREBCSMRSA-N
InChI=1S/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/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 | C19H19N |
Molecular Weight | 261.3609 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:16 UTC 2023
by
admin
on
Fri Dec 15 15:01:16 UTC 2023
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Record UNII |
28725X3PV8
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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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CFR |
21 CFR 341.12
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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Code System | Code | Type | Description | ||
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569-59-5
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31348-79-5
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DTXSID40972338
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DBSALT002846
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CHEMBL278398
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m8617
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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PRIMARY | Merck Index | ||
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SUB03745MIG
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209-320-7
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11290
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C87746
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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28725X3PV8
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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221137
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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91526
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100000085682
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |