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Details

Stereochemistry MIXED
Molecular Formula C30H36N2O10
Molecular Weight 584.6142
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-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=C1C(C)O

InChI

InChIKey=BVTBCVRDIGHXMX-HNGGEHJHSA-N
InChI=1S/C30H36N2O10/c1-3-14-8-15-9-17(10-16(15)11-20(14)13(2)33)31-12-21(34)18-4-6-22(24-19(18)5-7-23(35)32-24)41-30-27(38)25(36)26(37)28(42-30)29(39)40/h4-8,11,13,17,21,25-28,30-31,33-34,36-38H,3,9-10,12H2,1-2H3,(H,32,35)(H,39,40)/t13?,17?,21-,25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O10
Molecular Weight 584.6142
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 6 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:48:40 UTC 2023
Edited
by admin
on Sat Dec 16 14:48:40 UTC 2023
Record UNII
BG9UR3U9B2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL
Systematic Name English
INDACATEROL METABOLITE P19
Common Name English
5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
118753331
Created by admin on Sat Dec 16 14:48:40 UTC 2023 , Edited by admin on Sat Dec 16 14:48:40 UTC 2023
PRIMARY
FDA UNII
BG9UR3U9B2
Created by admin on Sat Dec 16 14:48:40 UTC 2023 , Edited by admin on Sat Dec 16 14:48:40 UTC 2023
PRIMARY
CAS
1446354-18-2
Created by admin on Sat Dec 16 14:48:40 UTC 2023 , Edited by admin on Sat Dec 16 14:48:40 UTC 2023
PRIMARY
Related Record Type Details
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