FEBUXOSTAT HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C16H16N2O3S.H2O
Molecular Weight	650.765
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC(C)COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N.CC(C)COC3=C(C=C(C=C3)C4=NC(C)=C(S4)C(O)=O)C#N

InChI

InChIKey=PBDGWWSMDHCTAJ-UHFFFAOYSA-N

InChI=1S/2C16H16N2O3S.H2O/c2*1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20;/h2*4-6,9H,8H2,1-3H3,(H,19,20);1H2

HIDE SMILES / InChI

Molecular Formula	C16H16N2O3S
Molecular Weight	316.375
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 14:30:14 UTC 2023` Edited by `admin` on `Sat Dec 16 14:30:14 UTC 2023`
Record UNII	7KC4X53ED3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEBUXOSTAT HEMIHYDRATE

Common Name

English

2-(3-CYANO-4-ISOBUTYLOXYPHENYL)-4-METHYL-5-THIAZOLECARBOXYLIC ACID HEMIHYDRATE

Systematic Name

English

FEBUXOSTAT HYDRATE

Common Name

English

FEBUXOSTAT HYDRATE [JAN]

Common Name

English

5-THIAZOLECARBOXYLIC ACID, 2-(3-CYANO-4-(2-METHYLPROPOXY)PHENYL)-4-METHYL-, HYDRATE (2:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

56963122

Created by admin on Sat Dec 16 14:30:14 UTC 2023 , Edited by admin on Sat Dec 16 14:30:14 UTC 2023

PRIMARY

FDA UNII

7KC4X53ED3

Created by admin on Sat Dec 16 14:30:14 UTC 2023 , Edited by admin on Sat Dec 16 14:30:14 UTC 2023

PRIMARY

CAS

442664-09-7

Created by admin on Sat Dec 16 14:30:14 UTC 2023 , Edited by admin on Sat Dec 16 14:30:14 UTC 2023

PRIMARY

SMS_ID

100000168509

Created by admin on Sat Dec 16 14:30:14 UTC 2023 , Edited by admin on Sat Dec 16 14:30:14 UTC 2023

PRIMARY

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Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC