Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C16H14N3O7S.Ca |
Molecular Weight | 824.805 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].OCNC(=O)NS(=O)(=O)C1=CC=C(NC(=O)C2=C(C=CC=C2)C([O-])=O)C=C1.OCNC(=O)NS(=O)(=O)C3=CC=C(NC(=O)C4=C(C=CC=C4)C([O-])=O)C=C3
InChI
InChIKey=KRZBKGSMUYFQAX-UHFFFAOYSA-L
InChI=1S/2C16H15N3O7S.Ca/c2*20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23;/h2*1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q;;+2/p-2
Molecular Formula | C16H14N3O7S |
Molecular Weight | 392.363 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
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
Fri Dec 15 18:44:25 GMT 2023
by
admin
on
Fri Dec 15 18:44:25 GMT 2023
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Record UNII |
4B15OG95NQ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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16735676
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m10314
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admin on Fri Dec 15 18:44:25 GMT 2023 , Edited by admin on Fri Dec 15 18:44:25 GMT 2023
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4B15OG95NQ
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102792
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SUB04626MIG
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100000085050
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261-850-8
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59672-20-7
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admin on Fri Dec 15 18:44:25 GMT 2023 , Edited by admin on Fri Dec 15 18:44:25 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |