Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H26ClN3.C7H6O3 |
| Molecular Weight | 457.993 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C=CC=C1.CCN(CC)CCCC(C)NC2=CC=NC3=CC(Cl)=CC=C23
InChI
InChIKey=IOLCFTUCDFJACH-UHFFFAOYSA-N
InChI=1S/C18H26ClN3.C7H6O3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;8-6-4-2-1-3-5(6)7(9)10/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);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 | C18H26ClN3 |
| Molecular Weight | 319.872 |
| 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 10:07:04 UTC 2023
by
admin
on
Sat Dec 16 10:07:04 UTC 2023
|
| Record UNII |
U731YKV2SC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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U731YKV2SC
Created by
admin on Sat Dec 16 10:07:04 UTC 2023 , Edited by admin on Sat Dec 16 10:07:04 UTC 2023
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100000084717
Created by
admin on Sat Dec 16 10:07:04 UTC 2023 , Edited by admin on Sat Dec 16 10:07:04 UTC 2023
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91667966
Created by
admin on Sat Dec 16 10:07:04 UTC 2023 , Edited by admin on Sat Dec 16 10:07:04 UTC 2023
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SUB01239MIG
Created by
admin on Sat Dec 16 10:07:04 UTC 2023 , Edited by admin on Sat Dec 16 10:07:04 UTC 2023
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49719-53-1
Created by
admin on Sat Dec 16 10:07:04 UTC 2023 , Edited by admin on Sat Dec 16 10:07:04 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |