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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N2O9
Molecular Weight 568.6148
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5,6-DIETHYL-2,3-DIHYDRO-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL

SMILES

CCC1=CC2=C(CC(C2)NC[C@H](O)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C5=C3C=CC(=O)N5)C=C1CC

InChI

InChIKey=QTEUXTDFPHJNHA-IQEQWHAESA-N
InChI=1S/C30H36N2O9/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)31-13-21(33)19-5-7-22(24-20(19)6-8-23(34)32-24)40-30-27(37)25(35)26(36)28(41-30)29(38)39/h5-10,18,21,25-28,30-31,33,35-37H,3-4,11-13H2,1-2H3,(H,32,34)(H,38,39)/t21-,25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O9
Molecular Weight 568.6148
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:10:29 UTC 2023
Edited
by admin
on Sat Dec 16 18:10:29 UTC 2023
Record UNII
S3YCF4P4TA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5,6-DIETHYL-2,3-DIHYDRO-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL
Systematic Name English
5-((1R)-2-((5,6-DIETHYL-2,3-DIHYDRO-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
INDACATEROL METABOLITE P37
Common Name English
Code System Code Type Description
PUBCHEM
46887146
Created by admin on Sat Dec 16 18:10:29 UTC 2023 , Edited by admin on Sat Dec 16 18:10:29 UTC 2023
PRIMARY
CAS
1446354-20-6
Created by admin on Sat Dec 16 18:10:29 UTC 2023 , Edited by admin on Sat Dec 16 18:10:29 UTC 2023
PRIMARY
FDA UNII
S3YCF4P4TA
Created by admin on Sat Dec 16 18:10:29 UTC 2023 , Edited by admin on Sat Dec 16 18:10:29 UTC 2023
PRIMARY
Related Record Type Details
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