Doxazosin methanesulfonate, (S)-
Basic information
- CAS
156154-10-8- Standard SMILES
COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O- InChIKey
VJECBOKJABCYMF-BDQAORGHSA-N- Molecular formula
- C24H29N5O8S
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.17368407
Names & identifiers
- Preferred name
- Doxazosin methanesulfonate, (S)-
- IUPAC
- [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone;methanesulfonic acid
- English name
- 1,4-Benzodioxin, piperazine deriv.
- Molecular weight
- 0
Names & synonyms
Doxazosin methanesulfonate, (S)-S-Doxazosin mesylate156154-10-81E67EE0B72UNII-1E67EE0B72Methanone, (4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl)((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)-, methanesulfonate (1:1)Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(((2S)-2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-, monomethanesulfonate1,4-Benzodioxin, piperazine deriv.NCGC00017136-01CAS-77883-43-3Doxazosin Mesylate, (S)-SCHEMBL4725733
Show more names
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-[[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]-, monomethanesulfonate
CHEMBL1553700[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone;methanesulfonic acid
Database identifiers
- CAS
156154-10-8- PubChem CID
- 6604575
- ChEMBL
CHEMBL1553700- UNII
- 1E67EE0B72
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- FDA UNII
- 1 E67EE0B72 · 1E67EE0B72
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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