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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31NO11
Molecular Weight 473.4709
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1R)-2-((5-CARBOXYPENTYL)AMINO)-1-HYDROXYETHYL)-2-(HYDROXYMETHYL)PHENYL

SMILES

OCC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)[C@@H](O)CNCCCCCC(O)=O

InChI

InChIKey=QNXKBJUPFGYXKQ-CGXGPNJMSA-N
InChI=1S/C21H31NO11/c23-10-12-8-11(13(24)9-22-7-3-1-2-4-15(25)26)5-6-14(12)32-21-18(29)16(27)17(28)19(33-21)20(30)31/h5-6,8,13,16-19,21-24,27-29H,1-4,7,9-10H2,(H,25,26)(H,30,31)/t13-,16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H31NO11
Molecular Weight 473.4709
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 15:54:52 GMT 2023
Edited
by admin
on Sat Dec 16 15:54:52 GMT 2023
Record UNII
L6TT4RQ626
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1R)-2-((5-CARBOXYPENTYL)AMINO)-1-HYDROXYETHYL)-2-(HYDROXYMETHYL)PHENYL
Systematic Name English
VILANTEROL METABOLITE M1
Common Name English
Code System Code Type Description
CAS
1463889-80-6
Created by admin on Sat Dec 16 15:54:52 GMT 2023 , Edited by admin on Sat Dec 16 15:54:52 GMT 2023
PRIMARY
FDA UNII
L6TT4RQ626
Created by admin on Sat Dec 16 15:54:52 GMT 2023 , Edited by admin on Sat Dec 16 15:54:52 GMT 2023
PRIMARY
PUBCHEM
156028111
Created by admin on Sat Dec 16 15:54:52 GMT 2023 , Edited by admin on Sat Dec 16 15:54:52 GMT 2023
PRIMARY
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