Metabolite Glucuronide form of tolfenamic acid

Name

Glucuronide form of tolfenamic acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 409.82
Monoisotopic: 409.0928297

Chemical Formula

C₁₉H₂₀ClNO₇

InChI Key

ORYXNFVXAIRHHF-UHFFFAOYSA-N

InChI

InChI=1S/C19H20ClNO7/c1-9-11(20)6-4-8-12(9)21-13-7-3-2-5-10(13)17(25)27-19-16(24)14(22)15(23)18(26)28-19/h2-8,14-16,18-19,21-24,26H,1H3

IUPAC Name

3,4,5,6-tetrahydroxyoxan-2-yl 2-[(3-chloro-2-methylphenyl)amino]benzoate

SMILES

CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(=O)OC1OC(O)C(O)C(O)C1O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0094100000-ed6e92718a6a8ef0fd7e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03xr-1190000000-bc3d80b1b0e105c22460
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-a509c356290cf80926cf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001m-9384100000-4261017b2d23d35f352a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01z9-0690000000-d42399b653c4d1de3c1c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9010000000-7c7a06256db6a858957a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	180.7512	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.1092	predicted	DeepCCS 1.0 (2019)
[M+Na]+	190.1022	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties