Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C21H21N.2ClH.3H2O |
Molecular Weight | 701.764 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.Cl.Cl.CN1CCC(CC1)=C2C3=C(C=CC=C3)C=CC4=C2C=CC=C4.CN5CCC(CC5)=C6C7=C(C=CC=C7)C=CC8=C6C=CC=C8
InChI
InChIKey=ZEAUHIZSRUAMQG-UHFFFAOYSA-N
InChI=1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2
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 |
Molecular Formula | C21H21N |
Molecular Weight | 287.3981 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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
Fri Dec 15 15:14:18 UTC 2023
by
admin
on
Fri Dec 15 15:14:18 UTC 2023
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Record UNII |
NJ82J0F8QC
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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 Fri Dec 15 15:14:18 UTC 2023 , Edited by admin on Fri Dec 15 15:14:18 UTC 2023
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Code System | Code | Type | Description | ||
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NJ82J0F8QC
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59695
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m4040
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PRIMARY | Merck Index | ||
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CHEMBL516
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SUB01537MIG
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650917
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11954233
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100000084677
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DBSALT000625
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NJ82J0F8QC
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104592
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admin on Fri Dec 15 15:14:18 UTC 2023 , Edited by admin on Fri Dec 15 15:14:18 UTC 2023
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759282
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41354-29-4
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C28949
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1161000
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DTXSID70274175
Created by
admin on Fri Dec 15 15:14:18 UTC 2023 , Edited by admin on Fri Dec 15 15:14:18 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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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 |