Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H23ClN4O4 |
Molecular Weight | 442.8962 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)/N=C\4/C=CC(=O)C(=C4)Cl
InChI
InChIKey=YURIGVDTQCDCHI-YSMPRRRNSA-N
InChI=1S/C22H23ClN4O4/c1-29-20-13-18-16(12-21(20)31-8-2-5-27-6-9-30-10-7-27)22(25-14-24-18)26-15-3-4-19(28)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3/b26-15-
Molecular Formula | C22H23ClN4O4 |
Molecular Weight | 442.8962 |
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
Fri Jun 25 20:32:25 UTC 2021
by
admin
on
Fri Jun 25 20:32:25 UTC 2021
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Record UNII |
MNV6L4WJV9
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Common Name | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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MNV6L4WJV9
Created by
admin on Fri Jun 25 20:32:25 UTC 2021 , Edited by admin on Fri Jun 25 20:32:25 UTC 2021
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PRIMARY |
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PARENT -> METABOLITE |
Produced thru Defluorination/hydroxylation.
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