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Details

Stereochemistry MIXED
Molecular Formula C21H22N4O7
Molecular Weight 442.4228
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S)-3-CARBAMOYL-4-(4-CYANO-2-METHOXY-PHENYL)-5-ETHOXY-2,3-DIHYDROXY-2-METHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-8-CARBOXYLIC ACID

SMILES

CCOc1c2[C@]([H])(c3ccc(cc3OC)C#N)C(C(=N)O)(C(C)(Nc2c(cn1)C(=O)O)O)O

InChI

InChIKey=ZEARZJDOXMUTHJ-VUZGARFFSA-N
InChI=1S/C21H22N4O7/c1-4-32-17-14-15(11-6-5-10(8-22)7-13(11)31-3)21(30,19(23)28)20(2,29)25-16(14)12(9-24-17)18(26)27/h5-7,9,15,25,29-30H,4H2,1-3H3,(H2,23,28)(H,26,27)/t15-,20?,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22N4O7
Molecular Weight 442.4228
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:32:34 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:34 UTC 2021
Record UNII
J89R82BS37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S)-3-CARBAMOYL-4-(4-CYANO-2-METHOXY-PHENYL)-5-ETHOXY-2,3-DIHYDROXY-2-METHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-8-CARBOXYLIC ACID
Systematic Name English
FINERENONE METABOLITE M8
Common Name English
Code System Code Type Description
FDA UNII
J89R82BS37
Created by admin on Fri Jun 25 20:32:34 UTC 2021 , Edited by admin on Fri Jun 25 20:32:34 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
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