Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H24ClN5O2.C4H4O4 |
Molecular Weight | 541.983 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.ClC1=CC=C2N(C3CCN(CCCN4C(=O)NC5=C4C=CC=C5)CC3)C(=O)NC2=C1
InChI
InChIKey=OAUUYDZHCOULIO-BTJKTKAUSA-N
InChI=1S/C22H24ClN5O2.C4H4O4/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29;5-3(6)1-2-4(7)8/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1-
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 |
Molecular Formula | C22H24ClN5O2 |
Molecular Weight | 425.911 |
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 18:50:38 UTC 2023
by
admin
on
Fri Dec 15 18:50:38 UTC 2023
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Record UNII |
899U5WF46A
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Record Status |
Validated (UNII)
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Record Version |
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-
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DBSALT002902
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236099
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DTXSID901019221
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899U5WF46A
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100000087542
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6604595
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SUB01815MIG
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83898-65-1
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281-277-7
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99497-03-7
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admin on Fri Dec 15 18:50:38 UTC 2023 , Edited by admin on Fri Dec 15 18:50:38 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT |
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ACTIVE MOIETY |