Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H17NO.C4H6O6 |
Molecular Weight | 341.3563 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2
InChI
InChIKey=VEPOHXYIFQMVHW-PVJVQHJQSA-N
InChI=1S/C12H17NO.C4H6O6/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,10,12H,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,12+;1-,2-/m01/s1
Molecular Formula | C12H17NO |
Molecular Weight | 191.2695 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:04:28 UTC 2023
by
admin
on
Fri Dec 15 15:04:28 UTC 2023
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Record UNII |
6985IP0T80
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 15:04:28 UTC 2023 , Edited by admin on Fri Dec 15 15:04:28 UTC 2023
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DEA NO. |
1615
Created by
admin on Fri Dec 15 15:04:28 UTC 2023 , Edited by admin on Fri Dec 15 15:04:28 UTC 2023
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NCI_THESAURUS |
C29728
Created by
admin on Fri Dec 15 15:04:28 UTC 2023 , Edited by admin on Fri Dec 15 15:04:28 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT001250
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m8604
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PRIMARY | Merck Index | ||
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C47667
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58157
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120608
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200-051-0
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SUB03739MIG
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36674
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50-58-8
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6985IP0T80
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6985IP0T80
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DTXSID70198165
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CHEMBL1744
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1516502
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100000088259
Created by
admin on Fri Dec 15 15:04:28 UTC 2023 , Edited by admin on Fri Dec 15 15:04:28 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |