(2S,3S,4S,5R,6R)-6-((2S,3R,4S,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H33FO11S
Molecular Weight	620.64
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-6-((2S,3R,4S,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]5(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C2=CC=C(C)C(CC3=CC=C(S3)C4=CC=C(F)C=C4)=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=TZIBMGFJORCASO-WUEFXTSHSA-N

InChI=1S/C30H33FO11S/c1-13-2-3-15(10-16(13)11-18-8-9-20(43-18)14-4-6-17(31)7-5-14)26-27(23(35)21(33)19(12-32)40-26)41-30-25(37)22(34)24(36)28(42-30)29(38)39/h2-10,19,21-28,30,32-37H,11-12H2,1H3,(H,38,39)/t19-,21-,22+,23+,24+,25-,26+,27-,28+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-6-((2S,3R,4S,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

CANAGLIFLOZIN METABOLITE M5

Common Name

English

JNJ-41980874

Common Name

English

Code System Code Type Description

PUBCHEM

156596667

Created by admin on Sat Dec 16 16:53:52 GMT 2023 , Edited by admin on Sat Dec 16 16:53:52 GMT 2023