Details
Stereochemistry | RACEMIC |
Molecular Formula | C9H16NO5.Ca.Cl |
Molecular Weight | 293.758 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].[Ca++].CC(C)(CO)C(O)C(=O)NCCC([O-])=O
InChI
InChIKey=CQFDFGZLLDNDAQ-UHFFFAOYSA-L
InChI=1S/C9H17NO5.Ca.ClH/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H/q;+2;/p-2
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C9H15NO5 |
Molecular Weight | 217.2191 |
Charge | -2 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 15:26:32 UTC 2023
by
admin
on
Fri Dec 15 15:26:32 UTC 2023
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Record UNII |
43A575C21D
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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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CFR |
21 CFR 172.330
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admin on Fri Dec 15 15:26:32 UTC 2023 , Edited by admin on Fri Dec 15 15:26:32 UTC 2023
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6363-38-8
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78122658
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43A575C21D
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admin on Fri Dec 15 15:26:32 UTC 2023 , Edited by admin on Fri Dec 15 15:26:32 UTC 2023
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DTXSID201018658
Created by
admin on Fri Dec 15 15:26:32 UTC 2023 , Edited by admin on Fri Dec 15 15:26:32 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |