Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H9Cl2NO3 |
| Molecular Weight | 310.132 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC1=CC(=O)C=C\C1=N/C2=C(Cl)C=CC=C2Cl
InChI
InChIKey=GTSUHSLLLCOPRM-SFQUDFHCSA-N
InChI=1S/C14H9Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6H,7H2,(H,19,20)/b17-12+
| Molecular Formula | C14H9Cl2NO3 |
| Molecular Weight | 310.132 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:16:34 GMT 2023
by
admin
on
Sat Dec 16 19:16:34 GMT 2023
|
| Record UNII |
FP88H4UEQ3
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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221555-69-7
Created by
admin on Sat Dec 16 19:16:35 GMT 2023 , Edited by admin on Sat Dec 16 19:16:35 GMT 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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1254576-93-6
Created by
admin on Sat Dec 16 19:16:35 GMT 2023 , Edited by admin on Sat Dec 16 19:16:35 GMT 2023
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PRIMARY | |||
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FP88H4UEQ3
Created by
admin on Sat Dec 16 19:16:35 GMT 2023 , Edited by admin on Sat Dec 16 19:16:35 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE TOXIC |
Bioactivation of DF via 5-hydroxylation might be
toxicologically more important than that via 40-hydroxylation, based on the fact that 5-OH-DF and DF-2,5-QI appeared to stimulate immune reactions. Not isolated but inferred from GSH reaction.
MINOR
|
