(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-(TRIFLUOROMETHYL)BENZOYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

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

Structure Search

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

Molecular Formula	C20H25F3N2O8
Molecular Weight	478.4163
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 16:49:57 GMT 2023` Edited by `admin` on `Sat Dec 16 16:49:57 GMT 2023`
Record UNII	J9POV5ZYZ1
Record Status	`Validated (UNII)`
Record Version

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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

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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

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