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Details

Stereochemistry MIXED
Molecular Formula C21H24N4O5
Molecular Weight 412.4391
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

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

SMILES

CCOC1=NC=C(C)C2=C1[C@H](C3=CC=C(C=C3OC)C#N)C(O)(C(N)=O)C(C)(O)N2

InChI

InChIKey=ALIFBCOWGITPQC-ATIQYGATSA-N
InChI=1S/C21H24N4O5/c1-5-30-18-15-16(13-7-6-12(9-22)8-14(13)29-4)21(28,19(23)26)20(3,27)25-17(15)11(2)10-24-18/h6-8,10,16,25,27-28H,5H2,1-4H3,(H2,23,26)/t16-,20?,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24N4O5
Molecular Weight 412.4391
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 Sat Dec 16 16:34:09 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:09 UTC 2023
Record UNII
F7FF82TDC8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S)-4-(4-CYANO-2-METHOXY-PHENYL)-5-ETHOXY-2,3-DIHYDROXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXAMIDE
Systematic Name English
FINERENONE METABOLITE M4
Common Name English
Code System Code Type Description
FDA UNII
F7FF82TDC8
Created by admin on Sat Dec 16 16:34:10 UTC 2023 , Edited by admin on Sat Dec 16 16:34:10 UTC 2023
PRIMARY
PUBCHEM
156613671
Created by admin on Sat Dec 16 16:34:10 UTC 2023 , Edited by admin on Sat Dec 16 16:34:10 UTC 2023
PRIMARY
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