Details
Stereochemistry | RACEMIC |
Molecular Formula | C21H27ClN2O2.2ClH |
Molecular Weight | 447.826 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.OCCOCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=ANOMHKZSQFYSBR-UHFFFAOYSA-N
InChI=1S/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H
Molecular Formula | C21H27ClN2O2 |
Molecular Weight | 374.904 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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 05:43:34 UTC 2023
by
admin
on
Sat Dec 16 05:43:34 UTC 2023
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Record UNII |
76755771U3
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29578
Created by
admin on Sat Dec 16 05:43:34 UTC 2023 , Edited by admin on Sat Dec 16 05:43:34 UTC 2023
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Code System | Code | Type | Description | ||
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SUB02598MIG
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76755771U3
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100000090236
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CHEMBL896
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2192-20-3
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76755771U3
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154987
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admin on Sat Dec 16 05:43:34 UTC 2023 , Edited by admin on Sat Dec 16 05:43:34 UTC 2023
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SUB127273
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C47559
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DTXSID2040737
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5819
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91513
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1333003
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31680
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218-586-3
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DBSALT000343
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m6159
Created by
admin on Sat Dec 16 05:43:34 UTC 2023 , Edited by admin on Sat Dec 16 05:43:34 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE |
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SALT/SOLVATE -> SALT/SOLVATE |
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ENANTIOMER -> RACEMATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
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PARENT -> SALT/SOLVATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |