EcoDrugPlus


Synonyms	LY-246708 TARTRATE LY246708 TARTRATE Xanomeline Tartaric Acid Xanomeline tartrate
Status
Molecule Category	Salt-form
UNII	B80W7AUT8R

Synonyms

LY-246708 TARTRATE

LY246708 TARTRATE

Xanomeline Tartaric Acid

Xanomeline tartrate

Status

Molecule Category

Salt-form

UNII

B80W7AUT8R


InChI Key	SJSVWTMVMBGIHQ-UHFFFAOYSA-N
Smiles	CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(O)C(O)C(=O)O
InChI	InChI=1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)

InChI Key

SJSVWTMVMBGIHQ-UHFFFAOYSA-N

Smiles

CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)C(O)C(O)C(=O)O

InChI

InChI=1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)

Property Name	Value
Molecular Formula	C18H29N3O7S
Molecular Weight	431.51
AlogP	3.22
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	7.0
Polar Surface Area	38.25
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H29N3O7S

Molecular Weight

431.51

AlogP

3.22

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

7.0

Polar Surface Area

38.25

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

19.0

Resources	Reference
ChEMBL	CHEMBL2336050
FDA SRS	B80W7AUT8R
PubChem	71456
SureChEMBL	SCHEMBL122509

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

XANOMELINE TARTRATE

Structure

Physicochemical Descriptors

Cross References