Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H33F2N5O5.C4H6O6 |
Molecular Weight | 707.6758 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C3=NC=CC=C3)C(=O)N1)C4=CC=C(F)C(F)=C4)C(=O)OC
InChI
InChIKey=JZGFQNUZPKINEE-FUTSCGIJSA-N
InChI=1S/C28H33F2N5O5.C4H6O6/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22;5-1(3(7)8)2(6)4(9)10/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38);1-2,5-6H,(H,7,8)(H,9,10)/t25-;1-,2-/m01/s1
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 |
Molecular Formula | C28H33F2N5O5 |
Molecular Weight | 557.5889 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:58 GMT 2023
by
admin
on
Fri Dec 15 16:24:58 GMT 2023
|
Record UNII |
0O6DK6NFDC
|
Record Status |
Validated (UNII)
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Record Version |
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-
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0O6DK6NFDC
Created by
admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
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11445465
Created by
admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
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220497-97-2
Created by
admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |