Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H11Cl2O4.Na |
Molecular Weight | 325.12 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC([O-])=O)C=C1
InChI
InChIKey=CWCSCNSKBSCYCS-UHFFFAOYSA-M
InChI=1S/C13H12Cl2O4.Na/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;/h4-5H,2-3,6H2,1H3,(H,16,17);/q;+1/p-1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H11Cl2O4 |
Molecular Weight | 302.13 |
Charge | -1 |
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 15:48:08 UTC 2023
by
admin
on
Fri Dec 15 15:48:08 UTC 2023
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Record UNII |
K41MYV7MPM
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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 |
C49184
Created by
admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
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Code System | Code | Type | Description | ||
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C47993
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6500-81-8
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23668825
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m5042
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PRIMARY | Merck Index | ||
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K41MYV7MPM
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100000087295
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DTXSID10215320
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CHEMBL456
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SUB01978MIG
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4108
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admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
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PRIMARY | RxNorm | ||
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K41MYV7MPM
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SUB193938
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DBSALT001225
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admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 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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ACTIVE MOIETY |