Basic information
- CAS
80755-51-7- Standard SMILES
CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1- InChIKey
RHLJLALHBZGAFM-UHFFFAOYSA-N- Molecular formula
- C19H27N5O3
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.21138972
Overview
Bunazosin is a member of quinazolines.
Names & identifiers
- Preferred name
- Bunazosin
- IUPAC
- 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
- English name
- Bunazosin
- Molecular formula
- C19H27N5O3
- Molecular weight
- 373.45
Names & synonyms
Bunazosin80755-51-7BunazosinaBunazosineBunazosinum1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one9UUW4V7G2H1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-oneDTXSID70227001H-1,4-Diazepine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-4-(1-oxobutyl)-, monohydrochloridebunazocineRefChem:121901
Show more names
Bunazosin USP/EP/BP2-(4-Butyryl-1,4-diazepan-1-yl)-6,7-dimethoxy-4-quinazolinamine4-amino-2-(4-butyrylhexahydro-1h-1,4-diazepin-1-yl)-6,7-dimethoxy-quinazoline1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1h-1,4-diazepin-1-yl]-1-butanone1-Butanone, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-
DTXCID602700Bunazosin [INN]Bunazosine [French]Bunazosinum [Latin]Bunazosina [Spanish]1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-UNII-9UUW4V7G2HBunazosin (INN)
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Experimental & physicochemical properties
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 620.6 · 620.6±65.0 °C(Predicted)
- Density
- 1.221 · 1.221
- storage temp.
- -20 °C · Store at -20°C
- pka
- 10.37 · 10.37±0.70(Predicted)
- form
- Solid
- color
- Off-white to yellow
- InChI
- InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
- InChIKey
- RHLJLALHBZGAFM-UHFFFAOYSA-N
- SMILES
- N3(CCN(CCC3)C(=O)CCC)c1nc2c(c(n1)N)cc(c(c2)OC)OC
- FDA UNII
- 9 UUW4V7G2H · 9UUW4V7G2H
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >10
Applications
UsesBunazosin is an α-1 adrenergic receptor antagonist that acts as an anti-cancer and anti-glaucoma drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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