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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H31ClN2O2
Molecular Weight 523.064
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Desmethyl-sudapyridine

SMILES

CNCC[C@](O)([C@H](C1=CC=CC=C1)C2=CC(=CN=C2OC)C3=CC=C(Cl)C=C3)C4=CC=CC5=CC=CC=C45

InChI

InChIKey=AJWHMDIFTFVLTA-ZQWAWDFXSA-N
InChI=1S/C33H31ClN2O2/c1-35-20-19-33(37,30-14-8-12-24-9-6-7-13-28(24)30)31(25-10-4-3-5-11-25)29-21-26(22-36-32(29)38-2)23-15-17-27(34)18-16-23/h3-18,21-22,31,35,37H,19-20H2,1-2H3/t31-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H31ClN2O2
Molecular Weight 523.064
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:56:11 UTC 2023
Edited
by admin
on Sat Dec 16 19:56:11 UTC 2023
Record UNII
L46VZG8VU2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Desmethyl-sudapyridine
Common Name English
(αS,βR)-5-(4-Chlorophenyl)-α-[2-(methylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-pyridineethanol
Systematic Name English
N-Monodesmethyl-sudapyridine
Common Name English
Code System Code Type Description
FDA UNII
L46VZG8VU2
Created by admin on Sat Dec 16 19:56:12 UTC 2023 , Edited by admin on Sat Dec 16 19:56:12 UTC 2023
PRIMARY
Related Record Type Details
OFF-TARGET->INHIBITOR
OFF TARGET->NON-INHIBITOR
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE