U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H23N3OS
Molecular Weight 281.417
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANOMELINE

SMILES

CCCCCCOC1=NSN=C1C2=CCCN(C)C2

InChI

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

HIDE SMILES / InChI

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 17:14:10 UTC 2023
Edited
by admin
on Sat Dec 16 17:14:10 UTC 2023
Record UNII
9ORI6L73CJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANOMELINE
INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
LY-246708 FREE BASE
Code English
PYRIDINE, 3-(4-(HEXYLOXY)-1,2,5-THIADIAZOL-3-YL)-1,2,5,6-TETRAHYDRO-1-METHYL-
Systematic Name English
XANOMELINE [MI]
Common Name English
LY-246708
Code English
XANOMELINE [USAN]
Common Name English
LY246708
Code English
xanomeline [INN]
Common Name English
Xanomeline [WHO-DD]
Common Name English
XANOMELINE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47796
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL21536
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
WIKIPEDIA
Xanomeline
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
EVMPD
SUB00093MIG
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
DRUG BANK
DB15357
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
USAN
EE-69
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
FDA UNII
9ORI6L73CJ
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
CAS
131986-45-3
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
INN
7125
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
SMS_ID
100000079349
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
NCI_THESAURUS
C152926
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
MERCK INDEX
m11524
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY Merck Index
CHEBI
10056
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
PUBCHEM
60809
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID60157286
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
DRUG CENTRAL
3652
Created by admin on Sat Dec 16 17:14:12 UTC 2023 , Edited by admin on Sat Dec 16 17:14:12 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY