milnacipran   Click here for help

GtoPdb Ligand ID: 7436

Synonyms: Savella®
Approved drug
milnacipran is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Milnacipran is approved as a racemic mixture of enantiomers. We show the non-isomeric structure to represent the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.33
Molecular weight 246.17
XLogP 1.91
No. Lipinski's rules broken 0
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Canonical SMILES NCC1CC1(c1ccccc1)C(=O)N(CC)CC
Isomeric SMILES NCC1CC1(c1ccccc1)C(=O)N(CC)CC
InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2009))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5701 milnacipran
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 92623-85-3 (source: Scifinder)
ChEMBL Ligand CHEMBL259209
DrugBank Ligand DB04896
DrugCentral Ligand 1808
GtoPdb PubChem SID 178104008
PubChem CID 11622909
Search Google for chemical match using the InChIKey GJJFMKBJSRMPLA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GJJFMKBJSRMPLA
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UniChem Compound Search for chemical match using the InChIKey GJJFMKBJSRMPLA-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GJJFMKBJSRMPLA-UHFFFAOYSA-N
Wikipedia Milnacipran