2-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-TRIHYDROXY-6'-(HYDROXYMETHYL)SPIRO(1H-ISOBENZOFURAN-3,2'-TETRAHYDROPYRAN)-5-YL)METHYL)PHENYL)ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24O8
Molecular Weight	416.4212
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-TRIHYDROXY-6'-(HYDROXYMETHYL)SPIRO(1H-ISOBENZOFURAN-3,2'-TETRAHYDROPYRAN)-5-YL)METHYL)PHENYL)ACETIC ACID

Structure Search

SMILES

OC[C@H]1O[C@]2(OCC3=C2C=C(CC4=CC=C(CC(O)=O)C=C4)C=C3)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=JMWQLPYVTHCAOG-VOFPXKNKSA-N

InChI=1S/C22H24O8/c23-10-17-19(26)20(27)21(28)22(30-17)16-8-14(5-6-15(16)11-29-22)7-12-1-3-13(4-2-12)9-18(24)25/h1-6,8,17,19-21,23,26-28H,7,9-11H2,(H,24,25)/t17-,19-,20+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H24O8
Molecular Weight	416.4212
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 `Mon Mar 31 22:16:35 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:35 GMT 2025`
Record UNII	7XFR17ALIV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOFOGLIFLOZIN ACETIC ACID METABOLITE

Preferred Name

English

2-(4-(((3S,3'R,4'S,5'S,6'R)-3',4',5'-TRIHYDROXY-6'-(HYDROXYMETHYL)SPIRO(1H-ISOBENZOFURAN-3,2'-TETRAHYDROPYRAN)-5-YL)METHYL)PHENYL)ACETIC ACID

Systematic Name

English

TOFOGLIFLOZIN METABOLITE M1

Common Name

English

Code System Code Type Description

FDA UNII

7XFR17ALIV

Created by admin on Mon Mar 31 22:16:35 GMT 2025 , Edited by admin on Mon Mar 31 22:16:35 GMT 2025

PRIMARY

PUBCHEM

76961597

Created by admin on Mon Mar 31 22:16:35 GMT 2025 , Edited by admin on Mon Mar 31 22:16:35 GMT 2025

PRIMARY

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TOFOGLIFLOZIN ANHYDROUS

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