Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H19ClN2O.C4H6O6 |
Molecular Weight | 440.875 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CCO[C@@H](C1=CC=C(Cl)C=C1)C2=CC=CC=N2
InChI
InChIKey=YNDXBZSTECRKLI-RAUFAAFNSA-N
InChI=1S/C16H19ClN2O.C4H6O6/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-1(3(7)8)2(6)4(9)10/h3-10,16H,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m01/s1
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C16H19ClN2O |
Molecular Weight | 290.788 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:40 UTC 2023
by
admin
on
Fri Dec 15 16:24:40 UTC 2023
|
Record UNII |
90897H496X
|
Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL1552819
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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PRIMARY | |||
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118984414
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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PRIMARY | |||
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49746-00-1
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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PRIMARY | |||
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m3070
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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PRIMARY | Merck Index | ||
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C76678
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
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PRIMARY | |||
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90897H496X
Created by
admin on Fri Dec 15 16:24:40 UTC 2023 , Edited by admin on Fri Dec 15 16:24:40 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |