(2S,3S,4S,5R,6R)-6-((1R)-1-(2-CHLOROPHENYL)-2-(TETRAZOL-2-YL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H17ClN4O7
Molecular Weight	400.771
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-6-((1R)-1-(2-CHLOROPHENYL)-2-(TETRAZOL-2-YL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@H]1[C@H](O[C@@H](CN2N=CN=N2)C3=C(Cl)C=CC=C3)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=RBPOVMMAONRLJK-QBOXMOKDSA-N

InChI=1S/C15H17ClN4O7/c16-8-4-2-1-3-7(8)9(5-20-18-6-17-19-20)26-15-12(23)10(21)11(22)13(27-15)14(24)25/h1-4,6,9-13,15,21-23H,5H2,(H,24,25)/t9-,10-,11-,12+,13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H17ClN4O7
Molecular Weight	400.771
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:02 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:02 GMT 2023`
Record UNII	N2AFP612U6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S,3S,4S,5R,6R)-6-((1R)-1-(2-CHLOROPHENYL)-2-(TETRAZOL-2-YL)ETHOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

CENOBAMATE METABOLITE M3

Common Name

English

Code System Code Type Description

FDA UNII

N2AFP612U6

Created by admin on Sat Dec 16 15:20:02 GMT 2023 , Edited by admin on Sat Dec 16 15:20:02 GMT 2023

PRIMARY

PUBCHEM

146019672

Created by admin on Sat Dec 16 15:20:02 GMT 2023 , Edited by admin on Sat Dec 16 15:20:02 GMT 2023

PRIMARY

Related Record Type Details


					P85X70RZWS

CENOBAMATE

PARENT -> METABOLITE

Qualification:

URINE

Amount: