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Details

Stereochemistry MIXED
Molecular Formula C24H28N2O4
Molecular Weight 408.4901
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((1S)-2-((5-ETHYL-6-(1-HYDROXYETHYL)INDAN-2-YL)AMINO)-1-HYDROXY-ETHYL)-8-HYDROXY-1H-QUINOLIN-2-ONE

SMILES

CCC1=CC2=C(CC(C2)NC[C@@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1C(C)O

InChI

InChIKey=DHOVNAABCPYSTQ-USPTVAFNSA-N
InChI=1S/C24H28N2O4/c1-3-14-8-15-9-17(10-16(15)11-20(14)13(2)27)25-12-22(29)18-4-6-21(28)24-19(18)5-7-23(30)26-24/h4-8,11,13,17,22,25,27-29H,3,9-10,12H2,1-2H3,(H,26,30)/t13?,17?,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H28N2O4
Molecular Weight 408.4901
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 18:19:00 UTC 2023
Edited
by admin
on Sat Dec 16 18:19:00 UTC 2023
Record UNII
Z4R6HF3AU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((1S)-2-((5-ETHYL-6-(1-HYDROXYETHYL)INDAN-2-YL)AMINO)-1-HYDROXY-ETHYL)-8-HYDROXY-1H-QUINOLIN-2-ONE
Systematic Name English
INDACATEROL METABOLITE P30.3
Common Name English
Code System Code Type Description
PUBCHEM
156613533
Created by admin on Sat Dec 16 18:19:01 UTC 2023 , Edited by admin on Sat Dec 16 18:19:01 UTC 2023
PRIMARY
FDA UNII
Z4R6HF3AU3
Created by admin on Sat Dec 16 18:19:01 UTC 2023 , Edited by admin on Sat Dec 16 18:19:01 UTC 2023
PRIMARY
Related Record Type Details
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