COTININE FUMARATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6ZAF060BHS

Structure
InChI Key NXHGVNVRWLOZDF-SZYUIZJOSA-N
Smile CN1C(=O)CC[C@H]1c1cccnc1.CN1C(=O)CC[C@H]1c1cccnc1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C10H12N2O.C4H4O4/c2*1-12-9(4-5-10(12)13)8-3-2-6-11-7-8;5-3(6)1-2-4(7)8/h2*2-3,6-7,9H,4-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*9-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N4O6
Molecular Weight 468.51
AlogP 1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 33.2
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989573
FDA SRS 6ZAF060BHS
PubChem 20055460
SureChEMBL SCHEMBL122012
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