Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C12H19NO3.H2O4S |
Molecular Weight | 548.647 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1.CC(C)(C)NCC(O)C2=CC(O)=CC(O)=C2
InChI
InChIKey=KFVSLSTULZVNPG-UHFFFAOYSA-N
InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C12H19NO3 |
Molecular Weight | 225.2842 |
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 17:58:22 UTC 2023
by
admin
on
Fri Dec 15 17:58:22 UTC 2023
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Record UNII |
576PU70Y8E
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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 |
C48149
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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NCI_THESAURUS |
C319
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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Code System | Code | Type | Description | ||
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100000084794
Created by
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m10572
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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PRIMARY | Merck Index | ||
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757336
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admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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C47748
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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23031-32-5
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DBSALT000297
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admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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245-386-3
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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CHEMBL1760
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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10369
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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DTXSID3045437
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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576PU70Y8E
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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SUB04724MIG
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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576PU70Y8E
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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31620
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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1643500
Created by
admin on Fri Dec 15 17:58:22 UTC 2023 , Edited by admin on Fri Dec 15 17:58:22 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
sum of impurities other than C: not more than twice the area of the principal peak in the chromatogram obtained with reference solution (b) (0.4 per cent)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
sum of impurities other than C: not more than twice the area of the principal peak in the chromatogram obtained with reference solution (b) (0.4 per cent)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |