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Trimazosin hydrochloride

CAT: 0931-T34945-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34945-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53746-46-6
Target
Adrenergic Receptor, Others
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
Trimazosin hydrochloride is used in the treatment of hypertensive patients failing to respond to thiazides.
Smiles
Cl.O=C(OCC(O)(C)C)N1CCN(C=2N=C(N)C=3C=C(OC)C(OC)=C(OC)C3N2)CC1.O
Molecular Formula
C20H32ClN5O7
Molecular Weight
489.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Trimazosin Hydrochloride

See also: Trimazosin (has active moiety).

CAS Number53746-46-6
PubChem CID64749
IUPAC Name(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate;hydrate;hydrochloride
Molecular FormulaC20H32ClN5O7
Molecular Weight489.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity603
SMILES
CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O.O.Cl
InChI
InChI=1S/C20H29N5O6.ClH.H2O/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5;;/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23);1H;1H2
InChIKey
WXMXALSEIGHTOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimazosin Hydrochloride
CAS: 53746-46-6
CID: 64749
Formula: C20H32ClN5O7
MW: 489.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass489.1990261
Monoisotopic Mass489.1990261
Topological Polar Surface Area134 Ų
Heavy Atom Count33
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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