Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H20N2O3.C7H7NO3 |
Molecular Weight | 405.4449 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=CC(O)=C(C=C1)C(O)=O.CCN(CC)CCOC(=O)C2=C(O)C=C(N)C=C2
InChI
InChIKey=HRACVNXTSHEBIU-UHFFFAOYSA-N
InChI=1S/C13H20N2O3.C7H7NO3/c1-3-15(4-2)7-8-18-13(17)11-6-5-10(14)9-12(11)16;8-4-1-2-5(7(10)11)6(9)3-4/h5-6,9,16H,3-4,7-8,14H2,1-2H3;1-3,9H,8H2,(H,10,11)
Molecular Formula | C7H7NO3 |
Molecular Weight | 153.1354 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H20N2O3 |
Molecular Weight | 252.3095 |
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 19:39:20 GMT 2023
by
admin
on
Fri Dec 15 19:39:20 GMT 2023
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Record UNII |
Y3QG0ULN6F
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Record Status |
Validated (UNII)
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Record Version |
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DTXSID30166300
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85088
Created by
admin on Fri Dec 15 19:39:20 GMT 2023 , Edited by admin on Fri Dec 15 19:39:20 GMT 2023
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Y3QG0ULN6F
Created by
admin on Fri Dec 15 19:39:20 GMT 2023 , Edited by admin on Fri Dec 15 19:39:20 GMT 2023
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |