Napactadine
Basic information
- CAS
76631-45-3- Standard SMILES
CN=C(Cc1ccc2ccccc2c1)NC- InChIKey
NAHCWQNNENHGNH-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Overview
Napactadine is a small molecule drug. The usage of the INN stem '-tadine' in the name indicates that Napactadine is a tricyclic histamine- H1 receptor antagonist,. Napactadine has a monoisotopic molecular weight of 212.13 Da.
Names & identifiers
- Preferred name
- Napactadine
- IUPAC
- N,N'-dimethyl-2-naphthalen-2-ylethanimidamide
- English name
- Napactadine
- Molecular formula
- C14H16N2
- Molecular weight
- 212.294
Names & synonyms
Napactadine76631-45-3napactadina2-Naphthaleneethanimidamide, N,N'-dimethyl-571S87U90NN,N'-Dimethyl-2-naphthaleneacetamidinenapactadinumRefChem:164546Napactadine [INN]Napactadine (free base)N,N'-dimethyl-2-naphthalen-2-ylethanimidamideorb2565723
Show more names
Napactadine free baseN1,N2-Dimethyl-2-naphthaleneacetamidine
CHEMBL1192539SCHEMBL11879280SCHEMBL11879284UNII-571S87U90NHY-106516CS-0025967T86961Q27261449
Database identifiers
- CAS
76631-45-3- PubChem CID
- 42153
- ChEMBL
CHEMBL1192539- UNII
- 571S87U90N
- Nikkaji
- J239.290I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- FDA UNII
- 571 S87U90N · 571S87U90N
Chemistry & industry
Applications
UsesNapactadine (free base) (compound 33) has anti-depressive activity. Napactadine has oral activity[1].
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Related reactions
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Compound notes
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