Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H25ClN2O3.C6H5NO2 |
| Molecular Weight | 511.997 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CN=CC=C1.OC(=O)CCCN2CCC(CC2)O[C@@H](C3=CC=C(Cl)C=C3)C4=CC=CC=N4
InChI
InChIKey=KMLYDGIAPQGTQZ-BOXHHOBZSA-N
InChI=1S/C21H25ClN2O3.C6H5NO2/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;8-6(9)5-2-1-3-7-4-5/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-4H,(H,8,9)/t21-;/m0./s1
| Molecular Formula | C21H25ClN2O3 |
| Molecular Weight | 388.888 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.1094 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:14:15 UTC 2023
by
admin
on
Sat Dec 16 19:14:15 UTC 2023
|
| Record UNII |
KEP4SBX4D8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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KEP4SBX4D8
Created by
admin on Sat Dec 16 19:14:16 UTC 2023 , Edited by admin on Sat Dec 16 19:14:16 UTC 2023
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1206695-39-7
Created by
admin on Sat Dec 16 19:14:16 UTC 2023 , Edited by admin on Sat Dec 16 19:14:16 UTC 2023
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46831286
Created by
admin on Sat Dec 16 19:14:16 UTC 2023 , Edited by admin on Sat Dec 16 19:14:16 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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