1-((2-(4-CARBOXYPHENYL)-1-METHYL-2-OXOETHYL)METHYLAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H21NO9
Molecular Weight	383.3499
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((2-(4-CARBOXYPHENYL)-1-METHYL-2-OXOETHYL)METHYLAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Structure Search

SMILES

CC(N(C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=O)C2=CC=C(C=C2)C(O)=O

InChI

InChIKey=ZQACYKFUUWRWLG-GJBJUZDASA-N

InChI=1S/C17H21NO9/c1-7(10(19)8-3-5-9(6-4-8)16(23)24)18(2)15-13(22)11(20)12(21)14(27-15)17(25)26/h3-7,11-15,20-22H,1-2H3,(H,23,24)(H,25,26)/t7?,11-,12-,13+,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H21NO9
Molecular Weight	383.3499
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:37:27 GMT 2025` Edited by `admin` on `Wed Apr 02 05:37:27 GMT 2025`
Record UNII	F966DI9FFY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((2-(4-CARBOXYPHENYL)-1-METHYL-2-OXOETHYL)METHYLAMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID

Systematic Name

English

MEPHEDRONE METABOLITE M9

Preferred Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-((2-(4-CARBOXYPHENYL)-1-METHYL-2-OXOETHYL)METHYLAMINO)-1-DEOXY-

Systematic Name

English

Code System Code Type Description

CAS

1826882-15-8

Created by admin on Wed Apr 02 05:37:27 GMT 2025 , Edited by admin on Wed Apr 02 05:37:27 GMT 2025

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FDA UNII

F966DI9FFY

Created by admin on Wed Apr 02 05:37:27 GMT 2025 , Edited by admin on Wed Apr 02 05:37:27 GMT 2025

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PUBCHEM

146014904

Created by admin on Wed Apr 02 05:37:27 GMT 2025 , Edited by admin on Wed Apr 02 05:37:27 GMT 2025

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Related Record Type Details


					8BA8T27317

MEPHEDRONE

PARENT -> METABOLITE

Comments:

IN VIVO

Qualification:

URINE