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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

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

Molecular Formula C23H23ClF2N2O10
Molecular Weight 560.886
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 14:55:00 GMT 2023
Edited
by admin
on Sat Dec 16 14:55:00 GMT 2023
Record UNII
SD9GLG46RW
Record Status Validated (UNII)
Record Version
  • Download
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
PRIMARY
FDA UNII
SD9GLG46RW
Created by admin on Sat Dec 16 14:55:00 GMT 2023 , Edited by admin on Sat Dec 16 14:55:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE