(2S,3S,4S,5R,6R)-6-((2S,3S,4R,5R,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-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,3S,4R,5R,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-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](CO)O[C@H]([C@@H]1O)C2=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=TYOYRLJPOYQWCE-OBOFXUEZSA-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)26-25(37)27(21(33)19(12-32)40-26)41-30-24(36)22(34)23(35)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,3S,4R,5R,6R)-2-(3-((5-(4-FLUOROPHENYL)-2-THIENYL)METHYL)-4-METHYL-PHENYL)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-4-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

CANAGLIFLOZIN METABOLITE M7

Common Name

English

JNJ-41488525

Common Name

English

Code System Code Type Description

PUBCHEM

156596691

Created by admin on Sat Dec 16 16:36:11 GMT 2023 , Edited by admin on Sat Dec 16 16:36:11 GMT 2023