N-(6-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-2-HYDROXY-3-(2-HYDROXY-1,1-DIMETHYL-ETHYL)PHENYL)-2-NAPHTHYL)METHANESULFONAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H25N3O6S
Molecular Weight	495.548
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(6-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-2-HYDROXY-3-(2-HYDROXY-1,1-DIMETHYL-ETHYL)PHENYL)-2-NAPHTHYL)METHANESULFONAMIDE

Structure Search

SMILES

CC(C)(CO)C1=C(O)C(=CC(=C1)N2C=CC(=O)NC2=O)C3=CC4=CC=C(NS(C)(=O)=O)C=C4C=C3

InChI

InChIKey=JKCGVLFCWIFJKG-UHFFFAOYSA-N

InChI=1S/C25H25N3O6S/c1-25(2,14-29)21-13-19(28-9-8-22(30)26-24(28)32)12-20(23(21)31)17-5-4-16-11-18(27-35(3,33)34)7-6-15(16)10-17/h4-13,27,29,31H,14H2,1-3H3,(H,26,30,32)

HIDE SMILES / InChI

Molecular Formula	C25H25N3O6S
Molecular Weight	495.548
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:47 UTC 2023` Edited by `admin` on `Sat Dec 16 14:36:47 UTC 2023`
Record UNII	65ZGD4UT93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(6-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-2-HYDROXY-3-(2-HYDROXY-1,1-DIMETHYL-ETHYL)PHENYL)-2-NAPHTHYL)METHANESULFONAMIDE

Systematic Name

English

DASABUVIR METABOLITE M11

Common Name

English

Code System Code Type Description

FDA UNII

65ZGD4UT93

Created by admin on Sat Dec 16 14:36:47 UTC 2023 , Edited by admin on Sat Dec 16 14:36:47 UTC 2023

PRIMARY

PUBCHEM

156596556

Created by admin on Sat Dec 16 14:36:47 UTC 2023 , Edited by admin on Sat Dec 16 14:36:47 UTC 2023

PRIMARY

Related Record Type Details


					DE54EQW8T1

DASABUVIR

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: