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Details

Stereochemistry ACHIRAL
Molecular Formula C14H23N3OS.C2H2O4
Molecular Weight 371.452
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANOMELINE OXALATE

SMILES

OC(=O)C(O)=O.CCCCCCOC1=NSN=C1C2=CCCN(C)C2

InChI

InChIKey=ZJOUESNWCLASJP-UHFFFAOYSA-N
InChI=1S/C14H23N3OS.C2H2O4/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;3-1(4)2(5)6/h8H,3-7,9-11H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H23N3OS
Molecular Weight 281.417
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:49 UTC 2023
Edited
by admin
on Sat Dec 16 08:23:49 UTC 2023
Record UNII
JF5A0PK3G5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANOMELINE OXALATE
MI  
Common Name English
PYRIDINE, 3-(4-(HEXYLOXY)-1,2,5-THIADIAZOL-3-YL)-1,2,5,6-TETRAHYDRO-1-METHYL-, ETHANEDIOATE (1:1)
Systematic Name English
XANOMELINE OXALATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m11524
Created by admin on Sat Dec 16 08:23:49 UTC 2023 , Edited by admin on Sat Dec 16 08:23:49 UTC 2023
PRIMARY Merck Index
FDA UNII
JF5A0PK3G5
Created by admin on Sat Dec 16 08:23:49 UTC 2023 , Edited by admin on Sat Dec 16 08:23:49 UTC 2023
PRIMARY
PUBCHEM
18920248
Created by admin on Sat Dec 16 08:23:49 UTC 2023 , Edited by admin on Sat Dec 16 08:23:49 UTC 2023
PRIMARY
CAS
141064-23-5
Created by admin on Sat Dec 16 08:23:49 UTC 2023 , Edited by admin on Sat Dec 16 08:23:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID90596482
Created by admin on Sat Dec 16 08:23:49 UTC 2023 , Edited by admin on Sat Dec 16 08:23:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY