Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C21H20ClN2O8.Ca |
| Molecular Weight | 967.768 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C4=C([O-])C=CC(Cl)=C4[C@H]2O.[H][C@]56C[C@@]7([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]7(O)C(O)=C5C(=O)C8=C([O-])C=CC(Cl)=C8[C@H]6O
InChI
InChIKey=UXOZEKMTWNWUFI-IQDXIELBSA-L
InChI=1S/2C21H21ClN2O8.Ca/c2*1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h2*3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);/q;;+2/p-2/t2*6-,7-,14-,15-,21-;/m00./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 | C21H20ClN2O8 |
| Molecular Weight | 463.845 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:24:08 UTC 2023
by
admin
on
Sat Dec 16 09:24:08 UTC 2023
|
| Record UNII |
SD6S4YY5HP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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100000174733
Created by
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SD6S4YY5HP
Created by
admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
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17146-81-5
Created by
admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
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72941516
Created by
admin on Sat Dec 16 09:24:09 UTC 2023 , Edited by admin on Sat Dec 16 09:24:09 UTC 2023
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ACTIVE MOIETY |
