(2S,3S,4S,5R)-6-(5-((3,5-DICHLORO-1-OXIDO-PYRIDIN-1-IUM-4-YL)CARBAMOYL)-2-(DIFLUOROMETHOXY)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H16Cl2F2N2O10
Molecular Weight	541.241
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R)-6-(5-((3,5-DICHLORO-1-OXIDO-PYRIDIN-1-IUM-4-YL)CARBAMOYL)-2-(DIFLUOROMETHOXY)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC(=CC=C2OC(F)F)C(=O)NC3=C(Cl)C=[N+]([O-])C=C3Cl)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=DOCLEOCDZXHCLW-PYOGLGTISA-N

InChI=1S/C19H16Cl2F2N2O10/c20-7-4-25(32)5-8(21)11(7)24-16(29)6-1-2-9(34-19(22)23)10(3-6)33-18-14(28)12(26)13(27)15(35-18)17(30)31/h1-5,12-15,18-19,26-28H,(H,24,29)(H,30,31)/t12-,13-,14+,15-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H16Cl2F2N2O10
Molecular Weight	541.241
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 15:18:31 UTC 2023` Edited by `admin` on `Sat Dec 16 15:18:31 UTC 2023`
Record UNII	H4RKS4J8K3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R)-6-(5-((3,5-DICHLORO-1-OXIDO-PYRIDIN-1-IUM-4-YL)CARBAMOYL)-2-(DIFLUOROMETHOXY)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ROFLUMILAST METABOLITE M-HU01

Common Name

English

Code System Code Type Description

FDA UNII

H4RKS4J8K3

Created by admin on Sat Dec 16 15:18:31 UTC 2023 , Edited by admin on Sat Dec 16 15:18:31 UTC 2023

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