Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C23H31ClN2O3.2C4H4O4 |
| Molecular Weight | 651.101 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.OCCOCCOCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=LCTVSMAEOLQJSR-SPIKMXEPSA-N
InChI=1S/C23H31ClN2O3.2C4H4O4/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27;2*5-3(6)1-2-4(7)8/h1-9,23,27H,10-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
| Molecular Formula | C23H31ClN2O3 |
| Molecular Weight | 418.957 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:19:14 GMT 2025
by
admin
on
Mon Mar 31 19:19:14 GMT 2025
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| Record UNII |
O9NQM95R01
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English |
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20840398
Created by
admin on Mon Mar 31 19:19:14 GMT 2025 , Edited by admin on Mon Mar 31 19:19:14 GMT 2025
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PRIMARY | |||
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O9NQM95R01
Created by
admin on Mon Mar 31 19:19:14 GMT 2025 , Edited by admin on Mon Mar 31 19:19:14 GMT 2025
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m726
Created by
admin on Mon Mar 31 19:19:14 GMT 2025 , Edited by admin on Mon Mar 31 19:19:14 GMT 2025
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PRIMARY | Merck Index | ||
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56335-21-8
Created by
admin on Mon Mar 31 19:19:14 GMT 2025 , Edited by admin on Mon Mar 31 19:19:14 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |