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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23BrF2N4O9
Molecular Weight 617.351
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BINIMETINIB O-GLUCORONIDE

SMILES

CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=SGPDNRGDRFFDSG-BPDSMXLESA-N
InChI=1S/C23H23BrF2N4O9/c1-30-8-27-16-13(30)7-10(15(14(16)26)28-12-3-2-9(24)6-11(12)25)21(34)29-38-5-4-37-23-19(33)17(31)18(32)20(39-23)22(35)36/h2-3,6-8,17-20,23,28,31-33H,4-5H2,1H3,(H,29,34)(H,35,36)/t17-,18-,19+,20-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23BrF2N4O9
Molecular Weight 617.351
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 Thu Jul 06 20:00:55 UTC 2023
Edited
by admin
on Thu Jul 06 20:00:55 UTC 2023
Record UNII
JM6U8E6BDL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BINIMETINIB O-GLUCORONIDE
Common Name English
(2S,3S,4S,5R,6R)-6-(2-((6-(4-BROMO-2-FLUORO-ANILINO)-7-FLUORO-3-METHYL-BENZIMIDAZOLE-5-CARBONYL)AMINO)OXYETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
JM6U8E6BDL
Created by admin on Thu Jul 06 20:00:55 UTC 2023 , Edited by admin on Thu Jul 06 20:00:55 UTC 2023
PRIMARY
PUBCHEM
156614009
Created by admin on Thu Jul 06 20:00:55 UTC 2023 , Edited by admin on Thu Jul 06 20:00:55 UTC 2023
PRIMARY
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