Neldazosin
Basic information
- CAS
109713-79-3- Standard SMILES
COc1cc2nc(N3CCN(C(=O)CC(C)O)CC3)nc(N)c2cc1OC- InChIKey
IOSMPEJNAQZKJT-UHFFFAOYSA-N- Molecular formula
- C18H25N5O4
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1906543
Names & identifiers
- Preferred name
- Neldazosin
- IUPAC
- 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-hydroxybutan-1-one
- English name
- Neldazosin
- Molecular formula
- C18H25N5O4
- Molecular weight
- 375.42
Names & synonyms
Neldazosin109713-79-3Neldazosin [INN]NeldazosinaNeldazosineNeldazosinumNeldazosine [INN-French]Neldazosinum [INN-Latin]Neldazosina [INN-Spanish]UNII-G3E7RO42MBG3E7RO42MBHRO 2/145
Show more names
Neldazosin, 10 mM in DMSO1-Butanone, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-hydroxy-
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-hydroxy-1-oxobutyl)piperazine1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-hydroxybutyryl)piperazinePiperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-hydroxy-1-oxobutyl)-Neldazosine (INN-French)Neldazosinum (INN-Latin)(+-)-1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(3-hydroxybutyryl)piperazineNeldazosina (INN-Spanish)1-BUTANONE, 1-(4-(4-AMINO-6,7-DIMETHOXY-2-QUINAZOLINYL)-1-PIPERAZINYL)-3-HYDROXY-
Database identifiers
- CAS
109713-79-3- PubChem CID
- 65908
- DTXSID
DTXSID40869512- ChEMBL
CHEMBL2106898- UNII
- G3E7RO42MB
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Boiling point
- 659.8 · 659.8±65.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 14.73 · 14.73±0.20(Predicted)
- FDA UNII
- 3 E7RO42MB · G3E7RO42MB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesNeldazosin is a potent alpha1-adrenoceptor antagonist[1].
Suppliers
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Related reactions
1 records
Compound notes
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