Details
Stereochemistry | RACEMIC |
Molecular Formula | C9H13N.C6H10O4 |
Molecular Weight | 281.3474 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(N)CC1=CC=CC=C1.OC(=O)CCCCC(O)=O
InChI
InChIKey=OFCJKOOVFDGTLY-UHFFFAOYSA-N
InChI=1S/C9H13N.C6H10O4/c1-8(10)7-9-5-3-2-4-6-9;7-5(8)3-1-2-4-6(9)10/h2-6,8H,7,10H2,1H3;1-4H2,(H,7,8)(H,9,10)
Molecular Formula | C6H10O4 |
Molecular Weight | 146.1412 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C9H13N |
Molecular Weight | 135.2062 |
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 15:31:00 UTC 2023
by
admin
on
Fri Dec 15 15:31:00 UTC 2023
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Record UNII |
Z58RH02W4M
|
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 |
C47795
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL405
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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20567238
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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100000176127
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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DBSALT001323
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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PA 003
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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C87425
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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Z58RH02W4M
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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DTXSID701026222
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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64770-51-0
Created by
admin on Fri Dec 15 15:31:01 UTC 2023 , Edited by admin on Fri Dec 15 15:31:01 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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