Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C16H17N2O5S.Ca |
Molecular Weight | 738.841 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C([O-])=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)COC6=CC=CC=C6)C([O-])=O
InChI
InChIKey=NPTZOUGIOYWQFI-ANPZCEIESA-L
InChI=1S/2C16H18N2O5S.Ca/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;+2/p-2/t2*11-,12+,14-;/m11./s1
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 | C16H17N2O5S |
Molecular Weight | 349.382 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:37:56 UTC 2023
by
admin
on
Fri Dec 15 18:37:56 UTC 2023
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Record UNII |
3750YH4NM7
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Record Status |
Validated (UNII)
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Record Version |
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-
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100000085276
Created by
admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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147-48-8
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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m8479
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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164549
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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205-689-3
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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SUB03764MIG
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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3750YH4NM7
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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DTXSID00932998
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admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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236517
Created by
admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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