Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H25F3N4O10 |
| Molecular Weight | 634.5141 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H]1[C@H]2CN(C[C@@H]12)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O
InChI
InChIKey=SAAXCVQLBCIWJA-SVYUQWBHSA-N
InChI=1S/C28H25F3N4O10/c1-9(36)32-18-12-6-34(7-13(12)18)25-16(31)5-11-19(37)14(8-35(24(11)33-25)17-3-2-10(29)4-15(17)30)27(43)45-28-22(40)20(38)21(39)23(44-28)26(41)42/h2-5,8,12-13,18,20-23,28,38-40H,6-7H2,1H3,(H,32,36)(H,41,42)/t12-,13+,18+,20-,21-,22+,23-,28-/m0/s1
| Molecular Formula | C28H25F3N4O10 |
| Molecular Weight | 634.5141 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 08:30:01 GMT 2025
by
admin
on
Wed Apr 02 08:30:01 GMT 2025
|
| Record UNII |
YOB1K46GU2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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184584-39-2
Created by
admin on Wed Apr 02 08:30:01 GMT 2025 , Edited by admin on Wed Apr 02 08:30:01 GMT 2025
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PRIMARY | |||
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YOB1K46GU2
Created by
admin on Wed Apr 02 08:30:01 GMT 2025 , Edited by admin on Wed Apr 02 08:30:01 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
