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Details

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

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R)-6-((5,6-DIETHYLINDAN-2-YL)-((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1H-QUINOLIN-5-YL)ETHYL)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CCC1=CC2=C(CC(C2)N(C[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C1CC

InChI

InChIKey=RMXIECBBDPYNIK-MRKVZTLSSA-N
InChI=1S/C30H36N2O10/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)32(42-30-27(38)25(36)26(37)28(41-30)29(39)40)13-22(34)19-5-7-21(33)24-20(19)6-8-23(35)31-24/h5-10,18,22,25-28,30,33-34,36-38H,3-4,11-13H2,1-2H3,(H,31,35)(H,39,40)/t22-,25-,26-,27+,28-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H36N2O10
Molecular Weight 584.6142
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 14:48:39 UTC 2023
Edited
by admin
on Sat Dec 16 14:48:39 UTC 2023
Record UNII
K01HR16459
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R)-6-((5,6-DIETHYLINDAN-2-YL)-((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1H-QUINOLIN-5-YL)ETHYL)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
INDACATEROL METABOLITE P37.7
Common Name English
Code System Code Type Description
PUBCHEM
138393925
Created by admin on Sat Dec 16 14:48:39 UTC 2023 , Edited by admin on Sat Dec 16 14:48:39 UTC 2023
PRIMARY
FDA UNII
K01HR16459
Created by admin on Sat Dec 16 14:48:39 UTC 2023 , Edited by admin on Sat Dec 16 14:48:39 UTC 2023
PRIMARY
Related Record Type Details
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