Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H13N3.C4H6O6 |
Molecular Weight | 361.3493 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C1[C@H]2CNC[C@@H]1C3=CC4=C(C=C23)N=CC=N4
InChI
InChIKey=TWYFGYXQSYOKLK-CYUSMAIQSA-N
InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-,9+;1-,2-/m.1/s1
Molecular Formula | C13H13N3 |
Molecular Weight | 211.2624 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 15:57:33 UTC 2023
by
admin
on
Fri Dec 15 15:57:33 UTC 2023
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Record UNII |
82269ASB48
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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 |
C73579
Created by
admin on Fri Dec 15 15:57:33 UTC 2023 , Edited by admin on Fri Dec 15 15:57:33 UTC 2023
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EMA ASSESSMENT REPORTS |
CHAMPIX (AUTHORIZED: TOBACCO USE CESSATION)
Created by
admin on Fri Dec 15 15:57:33 UTC 2023 , Edited by admin on Fri Dec 15 15:57:33 UTC 2023
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Code System | Code | Type | Description | ||
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SUB22601
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636674
Created by
admin on Fri Dec 15 15:57:33 UTC 2023 , Edited by admin on Fri Dec 15 15:57:33 UTC 2023
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PRIMARY | RxNorm | ||
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82269ASB48
Created by
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375815-87-5
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6918678
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m11395
Created by
admin on Fri Dec 15 15:57:33 UTC 2023 , Edited by admin on Fri Dec 15 15:57:33 UTC 2023
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PRIMARY | Merck Index | ||
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DBSALT000548
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DTXSID0049072
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82269ASB48
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CHEMBL1396
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84507
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100000091746
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OO-68
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C61998
Created by
admin on Fri Dec 15 15:57:33 UTC 2023 , Edited by admin on Fri Dec 15 15:57:33 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 |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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ACTIVE MOIETY |