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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

Molecular Formula C24H37NO9
Molecular Weight 483.5519
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:15:20 UTC 2023
Edited
by admin
on Sat Dec 16 15:15:20 UTC 2023
Record UNII
4QS7YH22HT
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 15:15:20 UTC 2023
PRIMARY
FDA UNII
4QS7YH22HT
Created by admin on Sat Dec 16 15:15:20 UTC 2023 , Edited by admin on Sat Dec 16 15:15:20 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE