Details
| Stereochemistry | MIXED |
| Molecular Formula | C21H31ClN2O.C7H6O3 |
| Molecular Weight | 501.057 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(O)C=C1.CCC(C)N(CC(O)C2=CC=CN2CC3=C(Cl)C=CC=C3)C(C)CC
InChI
InChIKey=APVBKCLHWQSJAT-UHFFFAOYSA-N
InChI=1S/C21H31ClN2O.C7H6O3/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22;8-6-3-1-5(2-4-6)7(9)10/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3;1-4,8H,(H,9,10)
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.1207 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H31ClN2O |
| Molecular Weight | 362.937 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:46:42 GMT 2025
by
admin
on
Mon Mar 31 17:46:42 GMT 2025
|
| Record UNII |
6X91SDS77O
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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211972
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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100000087881
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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6X91SDS77O
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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23784-10-3
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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C030234
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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m1267
Created by
admin on Mon Mar 31 17:46:42 GMT 2025 , Edited by admin on Mon Mar 31 17:46:42 GMT 2025
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PRIMARY | Merck Index |