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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18ClN5O8
Molecular Weight	443.796
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)CARBONYLAMINO)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@H]1[C@H](NC(=O)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=SUPVNWDRGIIEFB-ARFNZGECSA-N

InChI=1S/C16H18ClN5O8/c17-8-4-2-1-3-7(8)9(5-22-19-6-18-21-22)29-16(28)20-14-12(25)10(23)11(24)13(30-14)15(26)27/h1-4,6,9-14,23-25H,5H2,(H,20,28)(H,26,27)/t9-,10-,11-,12+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H18ClN5O8
Molecular Weight	443.796
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 15:34:25 UTC 2023` Edited by `admin` on `Sat Dec 16 15:34:25 UTC 2023`
Record UNII	O2LEK8QD1L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

N-GLUCURONIDE OF CENOBAMATE

Common Name

English

CENOBAMATE METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

146019392

Created by admin on Sat Dec 16 15:34:25 UTC 2023 , Edited by admin on Sat Dec 16 15:34:25 UTC 2023

PRIMARY

FDA UNII

O2LEK8QD1L

Created by admin on Sat Dec 16 15:34:25 UTC 2023 , Edited by admin on Sat Dec 16 15:34:25 UTC 2023

PRIMARY

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