.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-((2,6-DIFLUOROPHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F2N3O8
Molecular Weight	415.3024
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-((2,6-DIFLUOROPHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE)

Structure Search

SMILES

O[C@H]1[C@H](OC(=O)C2=CN(CC3=C(F)C=CC=C3F)N=N2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=IFDYWWLUYKLHKC-DJUFWWRVSA-N

InChI=1S/C16H15F2N3O8/c17-7-2-1-3-8(18)6(7)4-21-5-9(19-20-21)15(27)29-16-12(24)10(22)11(23)13(28-16)14(25)26/h1-3,5,10-13,16,22-24H,4H2,(H,25,26)/t10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H15F2N3O8
Molecular Weight	415.3024
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 18:02:22 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:22 GMT 2023`
Record UNII	Y6SVR6RVU4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1-((2,6-DIFLUOROPHENYL)METHYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE)

Systematic Name

English

CGP 47292-.BETA.-D-GLUCURONIDE

Common Name

English

1-.BETA.-D-GLUCURONIDE OF CGP 47292

Common Name

English

Code System Code Type Description

PUBCHEM

118753354

Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023

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CAS

1520120-84-6

Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023

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FDA UNII

Y6SVR6RVU4

Created by admin on Sat Dec 16 18:02:23 GMT 2023 , Edited by admin on Sat Dec 16 18:02:23 GMT 2023

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Related Record Type Details


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RUFINAMIDE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE