Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H21N5O2.C7H6O2 |
Molecular Weight | 461.513 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=CC=C1.CN2C(=O)C=C(N3CCC[C@@H](N)C3)N(CC4=C(C=CC=C4)C#N)C2=O
InChI
InChIKey=KEJICOXJTRHYAK-XFULWGLBSA-N
InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1
Molecular Formula | C18H21N5O2 |
Molecular Weight | 339.3916 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H6O2 |
Molecular Weight | 122.1213 |
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 16:35:51 UTC 2023
by
admin
on
Fri Dec 15 16:35:51 UTC 2023
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Record UNII |
EEN99869SC
|
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 |
C98086
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT000007
Created by
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EEN99869SC
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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850649-62-6
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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1368000
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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PRIMARY | RxNorm | ||
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UU-165
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100000124472
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admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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CHEMBL376359
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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EEN99869SC
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admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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m1572
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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PRIMARY | Merck Index | ||
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16088021
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admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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C75186
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admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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DTXSID20582095
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 UTC 2023
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SUB32165
Created by
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72324
Created by
admin on Fri Dec 15 16:35:52 UTC 2023 , Edited by admin on Fri Dec 15 16:35:52 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 |