Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C33H28ClFN4O10 |
| Molecular Weight | 695.048 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(OC)C=CC=C5F)=CC=C1C(=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O
InChI
InChIKey=AHFRPFYWSJFZTM-AHCJWZABSA-N
InChI=1S/C33H28ClFN4O10/c1-46-21-5-3-4-20(35)23(21)25-19-10-15(34)6-8-17(19)24-14(12-36-25)13-37-33(39-24)38-16-7-9-18(22(11-16)47-2)31(45)49-32-28(42)26(40)27(41)29(48-32)30(43)44/h3-11,13,26-29,32,40-42H,12H2,1-2H3,(H,43,44)(H,37,38,39)/t26-,27-,28+,29-,32-/m0/s1
| Molecular Formula | C33H28ClFN4O10 |
| Molecular Weight | 695.048 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 06:02:09 GMT 2025
by
admin
on
Wed Apr 02 06:02:09 GMT 2025
|
| Record UNII |
55MJC54XB8
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Preferred Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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55MJC54XB8
Created by
admin on Wed Apr 02 06:02:09 GMT 2025 , Edited by admin on Wed Apr 02 06:02:09 GMT 2025
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145996676
Created by
admin on Wed Apr 02 06:02:09 GMT 2025 , Edited by admin on Wed Apr 02 06:02:09 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
TRACE
URINE
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PARENT -> METABOLITE |
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PLASMA
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