(2S,3S,4S,5R,6S)-6-(((1R)-2-(BENZYLAMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)CARBAMOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24N2O10
Molecular Weight	428.3906
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(((1R)-2-(BENZYLAMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)CARBAMOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

COC[C@@H](NC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=O)NCC2=CC=CC=C2

InChI

InChIKey=RODXXFMSBBSTDC-LZQHRPSPSA-N

InChI=1S/C18H24N2O10/c1-28-8-10(15(24)19-7-9-5-3-2-4-6-9)20-18(27)30-17-13(23)11(21)12(22)14(29-17)16(25)26/h2-6,10-14,17,21-23H,7-8H2,1H3,(H,19,24)(H,20,27)(H,25,26)/t10-,11+,12+,13-,14+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H24N2O10
Molecular Weight	428.3906
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 15:04:48 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:48 GMT 2023`
Record UNII	XN2NC9NAH8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-(((1R)-2-(BENZYLAMINO)-1-(METHOXYMETHYL)-2-OXO-ETHYL)CARBAMOYLOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LACOSAMIDE METABOLITE M6

Common Name

English

Code System Code Type Description

PUBCHEM

156596699

Created by admin on Sat Dec 16 15:04:48 GMT 2023 , Edited by admin on Sat Dec 16 15:04:48 GMT 2023

PRIMARY

FDA UNII

XN2NC9NAH8

Created by admin on Sat Dec 16 15:04:48 GMT 2023 , Edited by admin on Sat Dec 16 15:04:48 GMT 2023

PRIMARY

Related Record Type Details


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Lacosamide

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE