Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C7H4NO3S.Ca.7H2O |
Molecular Weight | 530.538 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.[Ca++].O=C1[N-]S(=O)(=O)C2=C1C=CC=C2.O=C3[N-]S(=O)(=O)C4=C3C=CC=C4
InChI
InChIKey=NNOYLBKZPCUCQT-UHFFFAOYSA-L
InChI=1S/2C7H5NO3S.Ca.7H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;;;;/h2*1-4H,(H,8,9);;7*1H2/q;;+2;;;;;;;/p-2
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 | C7H5NO3S |
Molecular Weight | 183.185 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
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 15:48:07 UTC 2023
by
admin
on
Fri Dec 15 15:48:07 UTC 2023
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Record UNII |
5101OP7P2I
|
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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CODEX ALIMENTARIUS (GSFA) |
INS-954(II)
Created by
admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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JECFA EVALUATION |
INS-954(II)
Created by
admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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NCI_THESAURUS |
C283
Created by
admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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Code System | Code | Type | Description | ||
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5101OP7P2I
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1607029
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23725013
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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300000040305
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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DBSALT002238
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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CHEMBL2219732
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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SUB39454
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1362912
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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6381-91-5
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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C80009
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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5101OP7P2I
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admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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DTXSID5047459
Created by
admin on Fri Dec 15 15:48:07 UTC 2023 , Edited by admin on Fri Dec 15 15:48:07 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |