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Cyclazosin Hydrochloride

CAT: 0572-TRC-C987938-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987938-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146929-33-1
Synonyms
Cyclazosin Hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN([C@H]4CCCC[C@@H]34)C(=O)c5occc5
Molecular Formula
C23 H27 N5 O4 . Cl H
Molecular Weight
473.952
InChI
InChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H/t16-,17+;/m0./s1
Additionnal Information
IUPAC name: [(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Cyclazosin hydrochloride

Cyclazosin hydrochloride is a hydrochloride composed of equimolar amounts of cyclazosin and hydrogen chloride. It has a role as an alpha1B-adrenoceptor antagonist. It contains a cyclazosin.

CAS Number146929-33-1
PubChem CID9869475
IUPAC Name[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone;hydrochloride
Molecular FormulaC23H28ClN5O4
Molecular Weight474.0
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity668
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)C5=CC=CO5)N)OC.Cl
InChI
InChI=1S/C23H27N5O4.ClH/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18;/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26);1H/t16-,17+;/m0./s1
InChIKey
SKDIDWRQDBIQBS-MCJVGQIASA-N
Chemical Structure
2D Structure
2D structure of Cyclazosin hydrochloride
CAS: 146929-33-1
CID: 9869475
Formula: C23H28ClN5O4
MW: 474.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass473.1829821
Monoisotopic Mass473.1829821
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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