Canagliflozin ? Isomer

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25FO5S
Molecular Weight	444.516
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1CC2=CC=C(S2)C3=CC=C(F)C=C3)[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=XTNGUQKDFGDXSJ-PFKOEMKTSA-N

InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H25FO5S
Molecular Weight	444.516
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 `Wed Apr 02 17:33:51 GMT 2025` Edited by `admin` on `Wed Apr 02 17:33:51 GMT 2025`
Record UNII	74SH49JX4H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Epi-canagliflozin

Preferred Name

English

Canagliflozin ? Isomer

Common Name

English

(1R)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol

Systematic Name

English

D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1R)-

Systematic Name

English

(1R)-1,5-Anhydro-1-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-D-glucitol

Systematic Name

English

Code System Code Type Description

PUBCHEM

78358406

Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025

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CAS

1589590-87-3

Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025

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FDA UNII

74SH49JX4H

Created by admin on Wed Apr 02 17:33:51 GMT 2025 , Edited by admin on Wed Apr 02 17:33:51 GMT 2025

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