Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H22ClN5O3.C4H4O4 |
Molecular Weight | 567.978 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.COC1=CC(C(=O)NC2=CC=C(Cl)C=N2)=C(NC(=O)C3=CC=C(C=C3)C(=N)N(C)C)C=C1
InChI
InChIKey=DTSJEZCXVWQKCL-BTJKTKAUSA-N
InChI=1S/C23H22ClN5O3.C4H4O4/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20;5-3(6)1-2-4(7)8/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31);1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C23H22ClN5O3 |
Molecular Weight | 451.905 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:59:03 UTC 2023
by
admin
on
Sat Dec 16 13:59:03 UTC 2023
|
Record UNII |
28Z3021TMU
|
Record Status |
Validated (UNII)
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Record Version |
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-
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1927955
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m12019
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100000166595
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28Z3021TMU
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16069304
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936539-80-9
Created by
admin on Sat Dec 16 13:59:03 UTC 2023 , Edited by admin on Sat Dec 16 13:59:03 UTC 2023
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