Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H28ClFN2O8 |
| Molecular Weight | 623.025 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC\C(=C(\C1=CC=C(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3=CC4=C(NN=C4)C=C3)C5=CC=C(F)C=C5Cl
InChI
InChIKey=DJANHKRCWYHITR-LLQLIBEJSA-N
InChI=1S/C32H28ClFN2O8/c1-2-21(22-10-9-20(34)14-23(22)33)26(18-8-11-24-19(13-18)15-35-36-24)17-6-3-16(4-7-17)5-12-25(37)43-32-29(40)27(38)28(39)30(44-32)31(41)42/h3-15,27-30,32,38-40H,2H2,1H3,(H,35,36)(H,41,42)/b12-5+,26-21+/t27-,28-,29+,30-,32+/m0/s1
| Molecular Formula | C32H28ClFN2O8 |
| Molecular Weight | 623.025 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:14:24 UTC 2023
by
admin
on
Sat Dec 16 19:14:24 UTC 2023
|
| Record UNII |
LXB85B48E7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1779569-86-6
Created by
admin on Sat Dec 16 19:14:24 UTC 2023 , Edited by admin on Sat Dec 16 19:14:24 UTC 2023
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PRIMARY | |||
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122179009
Created by
admin on Sat Dec 16 19:14:24 UTC 2023 , Edited by admin on Sat Dec 16 19:14:24 UTC 2023
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PRIMARY | |||
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LXB85B48E7
Created by
admin on Sat Dec 16 19:14:24 UTC 2023 , Edited by admin on Sat Dec 16 19:14:24 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Relatively stable metabolite
MAJOR
|
