Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H12N2O6S.Ca |
| Molecular Weight | 424.441 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC1=CC=C(\N=N\C2=C3C=CC=CC3=CC(C([O-])=O)=C2O)C(=C1)S([O-])(=O)=O
InChI
InChIKey=PZTQVMXMKVTIRC-RZLHGTIFSA-L
InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;
| Molecular Formula | C18H12N2O6S |
| Molecular Weight | 384.363 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:29:23 GMT 2025
by
admin
on
Mon Mar 31 18:29:23 GMT 2025
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| Record UNII |
ECW0LZ41X8
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C461
Created by
admin on Mon Mar 31 18:29:23 GMT 2025 , Edited by admin on Mon Mar 31 18:29:23 GMT 2025
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CFR |
21 CFR 74.1307
Created by
admin on Mon Mar 31 18:29:23 GMT 2025 , Edited by admin on Mon Mar 31 18:29:23 GMT 2025
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CFR |
21 CFR 74.2307
Created by
admin on Mon Mar 31 18:29:23 GMT 2025 , Edited by admin on Mon Mar 31 18:29:23 GMT 2025
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| Code System | Code | Type | Description | ||
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C71668
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29092-56-6
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NON-SPECIFIC STOICHIOMETRY | |||
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LITHOL RUBINE BK
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DTXSID7027594
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1310564
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1369055
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226-109-5
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ECW0LZ41X8
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5281-04-9
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ECW0LZ41X8
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300000054534
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admin on Mon Mar 31 18:29:23 GMT 2025 , Edited by admin on Mon Mar 31 18:29:23 GMT 2025
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