Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C16H19ClN2O.C12H10O6S2.H2O |
| Molecular Weight | 913.925 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN(C)CCOC(C1=CC=C(Cl)C=C1)C2=CC=CC=N2.CN(C)CCOC(C3=CC=C(Cl)C=C3)C4=CC=CC=N4.OS(=O)(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)S(O)(=O)=O
InChI
InChIKey=HXOVOQNZGGOWJC-UHFFFAOYSA-N
InChI=1S/2C16H19ClN2O.C12H10O6S2.H2O/c2*1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18;/h2*3-10,16H,11-12H2,1-2H3;1-8H,(H,13,14,15)(H,16,17,18);1H2
| 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 |
| Molecular Formula | C12H10O6S2 |
| Molecular Weight | 314.334 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C16H19ClN2O |
| Molecular Weight | 290.788 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:14:25 UTC 2023
by
admin
on
Sat Dec 16 05:14:25 UTC 2023
|
| Record UNII |
R5ZZ4MJH5P
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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R5ZZ4MJH5P
Created by
admin on Sat Dec 16 05:14:25 UTC 2023 , Edited by admin on Sat Dec 16 05:14:25 UTC 2023
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139033134
Created by
admin on Sat Dec 16 05:14:25 UTC 2023 , Edited by admin on Sat Dec 16 05:14:25 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |