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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25F3N2O8
Molecular Weight 478.4163
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZOYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)CC1

InChI

InChIKey=FVYLPRWMEZYPDM-NAHJCDBISA-N
InChI=1S/C20H25F3N2O8/c1-24-4-6-25(7-5-24)9-11-3-2-10(8-12(11)20(21,22)23)18(31)33-19-15(28)13(26)14(27)16(32-19)17(29)30/h2-3,8,13-16,19,26-28H,4-7,9H2,1H3,(H,29,30)/t13-,14-,15+,16-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZOYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
FLUMATINIB METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
154585018
Created by admin on Sat Dec 16 16:49:57 GMT 2023 , Edited by admin on Sat Dec 16 16:49:57 GMT 2023
PRIMARY
FDA UNII
J9POV5ZYZ1
Created by admin on Sat Dec 16 16:49:57 GMT 2023 , Edited by admin on Sat Dec 16 16:49:57 GMT 2023
PRIMARY