Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H31F5N4O.C4H6O6 |
| Molecular Weight | 672.6401 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(F)(F)CO)C4=C(F)C=C(NC5CN(CCCF)C5)C=C4F
InChI
InChIKey=QZOTWXMHTSEIJY-WULFPPIKSA-N
InChI=1S/C27H31F5N4O.C4H6O6/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28;5-1(3(7)8)2(6)4(9)10/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-,26-;1-,2-/m11/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 | C27H31F5N4O |
| Molecular Weight | 522.5533 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:55:33 UTC 2023
by
admin
on
Sat Dec 16 13:55:33 UTC 2023
|
| Record UNII |
LQ2B14CHF1
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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146026191
Created by
admin on Sat Dec 16 13:55:33 UTC 2023 , Edited by admin on Sat Dec 16 13:55:33 UTC 2023
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PRIMARY | |||
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LQ2B14CHF1
Created by
admin on Sat Dec 16 13:55:33 UTC 2023 , Edited by admin on Sat Dec 16 13:55:33 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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