(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-METHYL-1-((4-METHYLSULFONYL-2-(TRIFLUOROMETHYL)PHENYL)METHYL)PYRROLO(2,3-B)PYRIDIN-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H25F3N2O10S
Molecular Weight	602.534
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-(2-(2-METHYL-1-((4-METHYLSULFONYL-2-(TRIFLUOROMETHYL)PHENYL)METHYL)PYRROLO(2,3-B)PYRIDIN-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CC1=C(CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC=CN=C3N1CC4=CC=C(C=C4C(F)(F)F)S(C)(=O)=O

InChI

InChIKey=MBOKRTPEPUPMNS-NABGWTBKSA-N

InChI=1S/C25H25F3N2O10S/c1-11-15(9-17(31)39-24-20(34)18(32)19(33)21(40-24)23(35)36)14-4-3-7-29-22(14)30(11)10-12-5-6-13(41(2,37)38)8-16(12)25(26,27)28/h3-8,18-21,24,32-34H,9-10H2,1-2H3,(H,35,36)/t18-,19-,20+,21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H25F3N2O10S
Molecular Weight	602.534
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 16:16:41 GMT 2023` Edited by `admin` on `Sat Dec 16 16:16:41 GMT 2023`
Record UNII	WMF8QFQ5AF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-METHYL-1-((4-METHYLSULFONYL-2-(TRIFLUOROMETHYL)PHENYL)METHYL)PYRROLO(2,3-B)PYRIDIN-3-YL)ACETYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ACYL GLUCURONIDE METABOLITE OF FEVIPIPRANT

Common Name

English

Code System Code Type Description

PUBCHEM

156596796

Created by admin on Sat Dec 16 16:16:41 GMT 2023 , Edited by admin on Sat Dec 16 16:16:41 GMT 2023

PRIMARY

FDA UNII

WMF8QFQ5AF

Created by admin on Sat Dec 16 16:16:41 GMT 2023 , Edited by admin on Sat Dec 16 16:16:41 GMT 2023

PRIMARY

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					2PEX5N7DQ4

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					2PEX5N7DQ4

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC