Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H30F9N4O5.Na |
| Molecular Weight | 744.5798 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=C(OCCCC([O-])=O)C=N3)C4=C1C=CC(=C4)C(F)(F)F
InChI
InChIKey=WXEDTKUVWZVNTI-IINJVQNMSA-M
InChI=1S/C32H31F9N4O5.Na/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41;/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47);/q;+1/p-1/t22-,26+;/m1./s1
| Molecular Formula | C32H30F9N4O5 |
| Molecular Weight | 721.59 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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
Sat Dec 16 12:19:28 GMT 2023
by
admin
on
Sat Dec 16 12:19:28 GMT 2023
|
| Record UNII |
0X8JBE081M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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300000013050
Created by
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866399-88-4
Created by
admin on Sat Dec 16 12:19:28 GMT 2023 , Edited by admin on Sat Dec 16 12:19:28 GMT 2023
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0X8JBE081M
Created by
admin on Sat Dec 16 12:19:28 GMT 2023 , Edited by admin on Sat Dec 16 12:19:28 GMT 2023
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121596687
Created by
admin on Sat Dec 16 12:19:28 GMT 2023 , Edited by admin on Sat Dec 16 12:19:28 GMT 2023
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |