(2S,3S,4S,5R,6S)-6-(4-(3-(DIBUTYLAMINO)PROPOXY)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

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

Structure Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 15:15:20 GMT 2023`
Record UNII	4QS7YH22HT
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


					JQZ1L091Y2

DRONEDARONE

PARENT -> METABOLITE

Qualification:

FECAL; URINE