Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H12N2O6S.Ca |
| Molecular Weight | 460.473 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].OC1=C(C=C2C=CC=CC2=C1\N=N\C3=C(C4=C(C=CC=C4)C=C3)S([O-])(=O)=O)C([O-])=O
InChI
InChIKey=OVHKKOQGPOYPLY-PGCQSHBKSA-L
InChI=1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2/b23-22+;
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H12N2O6S |
| Molecular Weight | 420.395 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:03:43 GMT 2025
by
admin
on
Mon Mar 31 18:03:43 GMT 2025
|
| Record UNII |
BAN556989E
|
| 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 |
C461
Created by
admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
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| Code System | Code | Type | Description | ||
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6417-83-0
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DTXSID4064347
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admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
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C71664
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229-142-3
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BAN556989E
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admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
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C547854
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BAN556989E
Created by
admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
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1437986
Created by
admin on Mon Mar 31 18:03:43 GMT 2025 , Edited by admin on Mon Mar 31 18:03:43 GMT 2025
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PRIMARY | RxNorm |