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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21F3N2O7
Molecular Weight 422.353
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-PIPERAZIN-1-YL-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2C(F)(F)F)N3CCNCC3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=IFQBQQRAWLDAKJ-JHZZJYKESA-N
InChI=1S/C17H21F3N2O7/c18-17(19,20)9-7-8(22-5-3-21-4-6-22)1-2-10(9)28-16-13(25)11(23)12(24)14(29-16)15(26)27/h1-2,7,11-14,16,21,23-25H,3-6H2,(H,26,27)/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-PIPERAZIN-1-YL-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
FLIBANSERIN METABOLITE M2
Common Name English
BI 401703 ZW
Common Name English
Code System Code Type Description
PUBCHEM
156613580
Created by admin on Sat Dec 16 15:11:43 GMT 2023 , Edited by admin on Sat Dec 16 15:11:43 GMT 2023
PRIMARY
FDA UNII
JF6GEV6PMA
Created by admin on Sat Dec 16 15:11:43 GMT 2023 , Edited by admin on Sat Dec 16 15:11:43 GMT 2023
PRIMARY