Basic information
- CAS
107021-36-3- Standard SMILES
COc1cc2nc(N3CCN(C(=O)C4=CC5C=CC4CC5)CC3)nc(N)c2cc1OC- InChIKey
MXXRJJCMLRPJOF-UHFFFAOYSA-N- Molecular formula
- C23H27N5O3
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.21138974
Overview
structure given in first source
Names & identifiers
- Preferred name
- Szl 49
- IUPAC
- [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2-bicyclo[2.2.2]octa-2,5-dienyl)methanone
- English name
- PRAZOBIND
- Molecular formula
- C23H27N5O3
- Molecular weight
- 421.49
Names & synonyms
107021-36-3Szl-49Szl 49Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(bicyclo(2.2.2)octa-2,5-dien-2-ylcarbonyl)-RefChem:187028PrazobindCHEMBL429379[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2-bicyclo[2.2.2]octa-2,5-dienyl)methanoneMethanone,[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]bicyclo[2.2.2]octa-2,5-dien-2-yl-orb1694492SCHEMBL29711219DTXSID80910214
Show more names
SZL-41-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-4-(bicyclo[2.2.2]octa-2,5-dien-2-ylcarbonyl)piperazine1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-bicyclo[2.2.2]octa-2,5-dienyl-carbonyl)-piperazineMethanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]bicyclo[2.2.2]octa-2,5-dien-2-yl-SZL-49, 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-bicyclo[2,2,2]octa-2,5-dienyl-carbonyl)-piperazine
BDBM50227880AKOS030255794FP271271-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-bicyclo(2.2.2)octa-2,5-dienylcarbonyl)piperazineDB-225333HY-118335CS-0065710T35581
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 735
Physicochemical properties
- Melting point
- 245 · 245-247°C
- Boiling point
- 706.6 · 706.6±70.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 0.1 mg/mL · DMSO: 0.1mg/mL
- form
- A crystalline solid
- pka
- 6.53 · 6.53±0.50(Predicted)
- color
- White to off-white
- Stability
- -200 C · -200C
Chemistry & industry
Applications
Usesa1-Adrenoceptor alkylating reagent
Usesα1-Adrenoceptor alkylating reagent. A Prazosin analog. An antihypertensive.
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Related reactions
0 records
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Compound notes
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