(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-PIPERAZIN-1-YL-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

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

Structure Search

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

Molecular Formula	C17H21F3N2O7
Molecular Weight	422.353
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 15:11:43 GMT 2023` Edited by `admin` on `Sat Dec 16 15:11:43 GMT 2023`
Record UNII	JF6GEV6PMA
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


					37JK4STR6Z

FLIBANSERIN

PARENT -> METABOLITE

Interaction Type:

MAJOR