U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H37NO9
Molecular Weight 483.5519
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(4-(3-(DIBUTYLAMINO)PROPOXY)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=VQFHRAQWCLKTSM-DCIKREJASA-N
InChI=1S/C24H37NO9/c1-3-5-12-25(13-6-4-2)14-7-15-32-17-10-8-16(9-11-17)23(31)34-24-20(28)18(26)19(27)21(33-24)22(29)30/h8-11,18-21,24,26-28H,3-7,12-15H2,1-2H3,(H,29,30)/t18-,19-,20+,21-,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6S)-6-(4-(3-(DIBUTYLAMINO)PROPOXY)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
DRONEDARONE METABOLITE H1A
Common Name English
Code System Code Type Description
PUBCHEM
155929016
Created by admin on Sat Dec 16 15:15:20 GMT 2023 , Edited by admin on Sat Dec 16 15:15:20 GMT 2023
PRIMARY
FDA UNII
4QS7YH22HT
Created by admin on Sat Dec 16 15:15:20 GMT 2023 , Edited by admin on Sat Dec 16 15:15:20 GMT 2023
PRIMARY