Basic information
- CAS
104874-86-4- Standard SMILES
COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC- InChIKey
RUZYUOTYCVRMRZ-FQEVSTJZSA-N- Molecular formula
- C23H25N5O5
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.18556891
Names & identifiers
- Preferred name
- Doxazosin, (S)-
- IUPAC
- [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
- English name
- Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, (S)-
- Molecular formula
- C23H25N5O5
- Molecular weight
- 451.48
Names & synonyms
s-doxazosinDoxazosin, (S)-104874-86-4V916PA1IQJUNII-V916PA1IQJ(4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)methanoneMethanone, (4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)-Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-, (S)-Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, (S)-RefChem:200734[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
Show more names
Doxazosin,(S)-Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]-Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl][(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-S-DoxazosinQ: What is S-Doxazosin Q: What is the CAS Number of S-Doxazosin Q: What is the storage condition of S-Doxazosin
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 718 · 718.0±70.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- pka
- 6.52 · 6.52±0.50(Predicted)
- FDA UNII
- 916 PA1IQJ · V916PA1IQJ
Chemistry & industry
Applications
Uses(S)-(+)-Doxazosin is an Isomer of Doxazosin Mesylate (D537500) a selective α1-adrenoceptor antagonist. Doxazosin relaxes smooth muscles of the prostate.
Suppliers16 total
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Related reactions
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Compound notes
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