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
Fri Dec 15 15:06:30 GMT 2023
by
admin
on
Fri Dec 15 15:06:30 GMT 2023
|
Record UNII |
6X91SDS77O
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Code System | Code | Type | Description | ||
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211972
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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100000087881
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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6X91SDS77O
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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23784-10-3
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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C030234
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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m1267
Created by
admin on Fri Dec 15 15:06:30 GMT 2023 , Edited by admin on Fri Dec 15 15:06:30 GMT 2023
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PRIMARY | Merck Index |