Details
Stereochemistry | ACHIRAL |
Molecular Formula | C12H18N2O2.C6H8O7 |
Molecular Weight | 414.407 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOC(=O)C1=CC=CN=C1
InChI
InChIKey=IABBAGAOMDWOCW-UHFFFAOYSA-N
InChI=1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Molecular Formula | C12H18N2O2 |
Molecular Weight | 222.2835 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H8O7 |
Molecular Weight | 192.1235 |
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 18:37:46 GMT 2023
by
admin
on
Fri Dec 15 18:37:46 GMT 2023
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Record UNII |
1S708RDJ0V
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Record Status |
Validated (UNII)
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Record Version |
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-
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1641-74-3
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SUB35898
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CHEMBL1907110
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DTXSID4046733
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100000128619
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1S708RDJ0V
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169477
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216-694-5
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92897
Created by
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