Picumast
Basic information
- CAS
39577-19-0- Standard SMILES
Cc1c(C)c2ccc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cc2oc1=O- InChIKey
USCSJAIWXWYTEH-UHFFFAOYSA-N- Molecular formula
- C25H29ClN2O3
- Average molar mass
- 441 g/mol
- Monoisotopic mass
- 440.1866705
Overview
Picumast is a small molecule drug. Picumast has a monoisotopic molecular weight of 440.19 Da.
Names & identifiers
- Preferred name
- Picumast
- IUPAC
- 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one
- English name
- Picumas
- Molecular formula
- C25H29ClN2O3
- Molecular weight
- 440.96
Names & synonyms
Picumast39577-19-0125267OAUFDTXSID20192693picumastum2H-1-Benzopyran-2-one, 7-(3-(4-((4-chlorophenyl)methyl)-1-piperazinyl)propoxy)-3,4-dimethyl-, dihydrochlorideRefChem:174206DTXCID601151847-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one7-(3-(4-(p-Chlorobenzyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarinPICUMASPicumast [INN:BAN]
Show more names
BM-151007-[3-[4-[(4-Chlorophenyl)methyl]-1-piperazinyl]propoxy]-3,4-dimethyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3,4-dimethyl-
UNII-125267OAUFPICUMAST [INN]PICUMAST [MI]PICUMAST [MART.]SCHEMBL18585orb1745184CHEMBL2106970AKOS005066633
Database identifiers
- CAS
39577-19-0- PubChem CID
- 431850
- DTXSID
DTXSID20192693- ChEMBL
CHEMBL2106970- UNII
- 125267OAUF
- Nikkaji
- J32.508B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Melting point
- 112 · 112-114° (Witte, 1974); mp 115-117° (Witte, 1989)
- Boiling point
- 594.8 · 594.8±50.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 7.25 · 7.25±0.10(Predicted)
- FDA UNII
- 125267 OAUF · 125267OAUF
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…