Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C29H25FN4O5.C4H4O4 |
Molecular Weight | 1173.1342 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CNC(=O)C1=C(OC)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3)C2=C1.CNC(=O)C6=C(OC)C=C7N=CC=C(OC8=CC=C(NC(=O)C9(CC9)C(=O)NC%10=CC=C(F)C=C%10)C=C8)C7=C6
InChI
InChIKey=SHABPCPLQZKNFG-WXXKFALUSA-N
InChI=1S/2C29H25FN4O5.C4H4O4/c2*1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18;5-3(6)1-2-4(7)8/h2*3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37);1-2H,(H,5,6)(H,7,8)/b;;2-1+
Molecular Formula | C29H25FN4O5 |
Molecular Weight | 528.531 |
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 15:16:48 GMT 2023
by
admin
on
Sat Dec 16 15:16:48 GMT 2023
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Record UNII |
I793JC4077
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Record Status |
Validated (UNII)
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Record Version |
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-
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LM-120
Created by
admin on Sat Dec 16 15:16:48 GMT 2023 , Edited by admin on Sat Dec 16 15:16:48 GMT 2023
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2444285-59-8
Created by
admin on Sat Dec 16 15:16:48 GMT 2023 , Edited by admin on Sat Dec 16 15:16:48 GMT 2023
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PRIMARY | |||
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I793JC4077
Created by
admin on Sat Dec 16 15:16:48 GMT 2023 , Edited by admin on Sat Dec 16 15:16:48 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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