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Details

Stereochemistry EPIMERIC
Molecular Formula C17H23NO8
Molecular Weight 369.3664
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(METHYLAMINO)-3-(4-METHYLPHENYL)-3-OXOPROPYL

SMILES

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

InChI

InChIKey=BRFOQEIVSXYTCC-YHNANPAJSA-N
InChI=1S/C17H23NO8/c1-8-3-5-9(6-4-8)11(19)10(18-2)7-25-17-14(22)12(20)13(21)15(26-17)16(23)24/h3-6,10,12-15,17-18,20-22H,7H2,1-2H3,(H,23,24)/t10?,12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H23NO8
Molecular Weight 369.3664
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 Sat Dec 16 15:38:55 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:55 GMT 2023
Record UNII
7I38VES5KQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(METHYLAMINO)-3-(4-METHYLPHENYL)-3-OXOPROPYL
Systematic Name English
2-(METHYLAMINO)-3-(4-METHYLPHENYL)-3-OXOPROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
MEPHEDRONE METABOLITE M8
Common Name English
Code System Code Type Description
CAS
1826882-17-0
Created by admin on Sat Dec 16 15:38:55 GMT 2023 , Edited by admin on Sat Dec 16 15:38:55 GMT 2023
PRIMARY
PUBCHEM
146014891
Created by admin on Sat Dec 16 15:38:55 GMT 2023 , Edited by admin on Sat Dec 16 15:38:55 GMT 2023
PRIMARY
FDA UNII
7I38VES5KQ
Created by admin on Sat Dec 16 15:38:55 GMT 2023 , Edited by admin on Sat Dec 16 15:38:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VIVO
URINE