Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C6H7NO.C4H6O6 |
Molecular Weight | 259.2127 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=CN=CC=C1.O[C@H]([C@@H](O)C(O)=O)C(O)=O
InChI
InChIKey=NPORIZAYKBQYLF-LREBCSMRSA-N
InChI=1S/C6H7NO.C4H6O6/c8-5-6-2-1-3-7-4-6;5-1(3(7)8)2(6)4(9)10/h1-4,8H,5H2;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 | C6H7NO |
Molecular Weight | 109.1259 |
Charge | 0 |
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 15:26:18 UTC 2023
by
admin
on
Fri Dec 15 15:26:18 UTC 2023
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Record UNII |
5G605ZIE90
|
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 |
C29707
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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Code System | Code | Type | Description | ||
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235354
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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PRIMARY | RxNorm | ||
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147492
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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m7882
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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PRIMARY | Merck Index | ||
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5G605ZIE90
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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SUB14652MIG
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admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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228-199-1
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admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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DTXSID90977232
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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C77152
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admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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100000079995
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admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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93578
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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6164-87-0
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 UTC 2023
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CHEMBL1235535
Created by
admin on Fri Dec 15 15:26:18 UTC 2023 , Edited by admin on Fri Dec 15 15:26:18 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 |