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Spirendolol

CAT: 0931-T16919-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16919-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81840-58-6
Target
Others, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
Spirendolol is an antagonist of β adrenergic receptor.
Smiles
O=C1C2(CC=3C1=CC=CC3OCC(CNC(C)(C)C)O)CCCCC2
Molecular Formula
C21H31NO3
Molecular Weight
345.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LI 32-468

beta-2 selective adrenoreceptor antagonist

CAS Number81840-58-6
PubChem CID133769
IUPAC Name4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one
Molecular FormulaC21H31NO3
Molecular Weight345.5
XLogP4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CC3(C2=O)CCCCC3)O
InChI
InChI=1S/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3/t15-/m0/s1
InChIKey
YLBMSIZZTJEEIO-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of LI 32-468
CAS: 81840-58-6
CID: 133769
Formula: C21H31NO3
MW: 345.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass345.23039385
Monoisotopic Mass345.23039385
Topological Polar Surface Area58.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844703-01Spirendolol
A20254-25Spirendolol 25mg
A20254-5Spirendolol 5mg
A20254-10Spirendolol 10mg
A20254-1Spirendolol 1mg
A20254-100Spirendolol 100mg
A20254-50Spirendolol 50mg

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