NICOTINE BITARTRATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: R7M676M8YV
Parent Compound: NICOTINE

Structure
InChI Key QLDPCHZQQIASHX-PPHPATTJSA-N
Smile CN1CCC[C@H]1c1cccnc1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30N2O14
Molecular Weight 498.44
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 4.464
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -10.6-7.48

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tobacco Use Disorder 2 D014029 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL3989563
FDA SRS R7M676M8YV
PubChem 2735102
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