Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C7H6NO3.Ca.3H2O |
| Molecular Weight | 398.379 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Ca++].NC1=CC(O)=C(C=C1)C([O-])=O.NC2=CC(O)=C(C=C2)C([O-])=O
InChI
InChIKey=IPLQYSPEGHNJCQ-UHFFFAOYSA-L
InChI=1S/2C7H7NO3.Ca.3H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;3*1H2/q;;+2;;;/p-2
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C280
Created by
admin on Fri Dec 15 15:19:17 UTC 2023 , Edited by admin on Fri Dec 15 15:19:17 UTC 2023
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WHO-ATC |
J04AA03
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admin on Fri Dec 15 15:19:17 UTC 2023 , Edited by admin on Fri Dec 15 15:19:17 UTC 2023
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WHO-VATC |
QJ04AA03
Created by
admin on Fri Dec 15 15:19:17 UTC 2023 , Edited by admin on Fri Dec 15 15:19:17 UTC 2023
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| Code System | Code | Type | Description | ||
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100000077710
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CHEMBL1169
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C76468
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SUB12859MIG
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6059-16-1
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9VF16M7FWU
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DBSALT001939
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71586857
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admin on Fri Dec 15 15:19:17 UTC 2023 , Edited by admin on Fri Dec 15 15:19:17 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD