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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16Cl2F2N2O9
Molecular Weight 525.241
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R)-6-(5-((3,5-DICHLORO-4-PYRIDYL)CARBAMOYL)-2-(DIFLUOROMETHOXY)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2OC(F)F)C(=O)NC3=C(Cl)C=NC=C3Cl)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=RGWUQJBEFOXZME-PYOGLGTISA-N
InChI=1S/C19H16Cl2F2N2O9/c20-7-4-24-5-8(21)11(7)25-16(29)6-1-2-9(33-19(22)23)10(3-6)32-18-14(28)12(26)13(27)15(34-18)17(30)31/h1-5,12-15,18-19,26-28H,(H,30,31)(H,24,25,29)/t12-,13-,14+,15-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16Cl2F2N2O9
Molecular Weight 525.241
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 Sat Dec 16 14:34:22 GMT 2023
Edited
by admin
on Sat Dec 16 14:34:22 GMT 2023
Record UNII
SJ65RQ386K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R)-6-(5-((3,5-DICHLORO-4-PYRIDYL)CARBAMOYL)-2-(DIFLUOROMETHOXY)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ROFLUMILAST METABOLITE M-HU02
Common Name English
Code System Code Type Description
PUBCHEM
156596816
Created by admin on Sat Dec 16 14:34:22 GMT 2023 , Edited by admin on Sat Dec 16 14:34:22 GMT 2023
PRIMARY
FDA UNII
SJ65RQ386K
Created by admin on Sat Dec 16 14:34:22 GMT 2023 , Edited by admin on Sat Dec 16 14:34:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE