(2S,3S,4S,5R)-6-((5-CHLORO-4-((3-(CYCLOPROPYLMETHOXY)-4-(DIFLUOROMETHOXY)BENZOYL)AMINO)-3-PYRIDYL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23ClF2N2O10
Molecular Weight	560.886
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-6-((5-CHLORO-4-((3-(CYCLOPROPYLMETHOXY)-4-(DIFLUOROMETHOXY)BENZOYL)AMINO)-3-PYRIDYL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CN=CC(Cl)=C2NC(=O)C3=CC=C(OC(F)F)C(OCC4CC4)=C3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=VNWITYCTNVQNJI-KSSXRGRSSA-N

InChI=1S/C23H23ClF2N2O10/c24-11-6-27-7-14(36-22-18(31)16(29)17(30)19(38-22)21(33)34)15(11)28-20(32)10-3-4-12(37-23(25)26)13(5-10)35-8-9-1-2-9/h3-7,9,16-19,22-23,29-31H,1-2,8H2,(H,33,34)(H,27,28,32)/t16-,17-,18+,19-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R)-6-((5-CHLORO-4-((3-(CYCLOPROPYLMETHOXY)-4-(DIFLUOROMETHOXY)BENZOYL)AMINO)-3-PYRIDYL)OXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

M-HU04

Code

English

ROFLUMILAST METABOLITE (M-HU04)

Common Name

English

Code System Code Type Description

PUBCHEM

155928787

Created by admin on Sat Dec 16 14:55:00 GMT 2023 , Edited by admin on Sat Dec 16 14:55:00 GMT 2023