Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C21H20N4O3.C4H6O6 |
Molecular Weight | 526.4953 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CC=CN=C3
InChI
InChIKey=XOHPDDYEORLRNT-LREBCSMRSA-N
InChI=1S/C21H20N4O3.C4H6O6/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16;5-1(3(7)8)2(6)4(9)10/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Molecular Formula | C21H20N4O3 |
Molecular Weight | 376.4085 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Sat Dec 16 10:59:21 UTC 2023
by
admin
on
Sat Dec 16 10:59:21 UTC 2023
|
Record UNII |
7PLJ5N16ZY
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Record Status |
Validated (UNII)
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Record Version |
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-
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7PLJ5N16ZY
Created by
admin on Sat Dec 16 10:59:21 UTC 2023 , Edited by admin on Sat Dec 16 10:59:21 UTC 2023
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92135774
Created by
admin on Sat Dec 16 10:59:21 UTC 2023 , Edited by admin on Sat Dec 16 10:59:21 UTC 2023
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86247-87-2
Created by
admin on Sat Dec 16 10:59:21 UTC 2023 , Edited by admin on Sat Dec 16 10:59:21 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |