Details
Stereochemistry | RACEMIC |
Molecular Formula | C15H13NO3.C4H11NO3 |
Molecular Weight | 376.4037 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.OC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3
InChI
InChIKey=BWHLPLXXIDYSNW-UHFFFAOYSA-N
InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2
Molecular Formula | C4H11NO3 |
Molecular Weight | 121.135 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C15H13NO3 |
Molecular Weight | 255.2686 |
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 15:36:52 UTC 2023
by
admin
on
Fri Dec 15 15:36:52 UTC 2023
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Record UNII |
4EVE5946BQ
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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 |
C1323
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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Code System | Code | Type | Description | ||
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C61798
Created by
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SUB02835MIG
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admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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PRIMARY | |||
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84003
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PRIMARY | |||
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4EVE5946BQ
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admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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PRIMARY | |||
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CHEMBL469
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DTXSID0045597
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T-104
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1356665
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6130
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DBSALT001045
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admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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74103-07-4
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100000091653
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28200
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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D020911
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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4EVE5946BQ
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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m6623
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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PRIMARY | Merck Index | ||
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758637
Created by
admin on Fri Dec 15 15:36:52 UTC 2023 , Edited by admin on Fri Dec 15 15:36:52 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
EP
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||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
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||
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ENANTIOMER -> RACEMATE |
Related Record | Type | Details | ||
---|---|---|---|---|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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||
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT |
unspecified
UNKNOWN
EP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
|
IMPURITY -> PARENT |
unspecified
UNKNOWN
EP
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||
|
IMPURITY -> PARENT |
For the calculation of contents, multiply the peak areas by 0.67
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
For the calculation of contents, multiply the peak areas by 0.52
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
For the calculation of contents, multiply the peak areas by 2.2
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
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IMPURITY -> PARENT |
unspecified
UNKNOWN
EP
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||
|
IMPURITY -> PARENT |
unspecified
UNKNOWN
EP
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||
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IMPURITY -> PARENT |
unspecified
UNKNOWN
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |