toludesvenlafaxine   Click here for help

GtoPdb Ligand ID: 12766

Synonyms: ansofaxine | compound 71 [PMID: 28731336] | LPM570065 | LY-03005 | Ruoxinlin®
Approved drug
toludesvenlafaxine is an approved drug (China (2022))
Compound class: Synthetic organic
Comment: Toludesvenlafaxine (formerly ansofaxine, LY03005) is oral serotonin-norepinephrine-dopamine (triple) reuptake inhibitor [1]. The hydrochloride dihydrate is formulated for extended-release oral administration. We show the structure for the free base molecule here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.77
Molecular weight 381.51
XLogP 3.23
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O
InChI InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2022))
IUPAC Name Click here for help
[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate
International Nonproprietary Names Click here for help
INN number INN
10991 toludesvenlafaxine
Synonyms Click here for help
ansofaxine | compound 71 [PMID: 28731336] | LPM570065 | LY-03005 | Ruoxinlin®
Database Links Click here for help
BindingDB Ligand 50459922
CAS Registry No. 916918-80-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL4227736
DrugBank Ligand DB15052
GtoPdb PubChem SID 483123314
PubChem CID 15983287
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UniChem Compound Search for chemical match using the InChIKey QKYBZJLEMOZFFU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QKYBZJLEMOZFFU-UHFFFAOYSA-N