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CGP 12177 hydrochloride

CAT: 0607-B6611-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6611-50Size:50 mg
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Description
β1/β2-AR antagonist,β3 AR partial agonist
CAS Number
64208-32-8
Product Name Alternative
(R)-4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-benzo[d]imidazol-2(3H)-one hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
White solid
Solubility
Soluble to 50 mM in H2O
Smiles
O[C@@H](COC1=CC=CC(N2)=C1NC2=O)CNC(C)(C)C.Cl
Molecular Formula
C14H21N3O3·HCl
Molecular Weight
315.8
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-benzo[d]imidazol-2(3H)-one hydrochloride
CAS Number64208-32-8
PubChem CID11957517
IUPAC Name4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one;hydrochloride
Molecular FormulaC14H22ClN3O3
Molecular Weight315.79
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity343
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1NC(=O)N2)O.Cl
InChI
InChI=1S/C14H21N3O3.ClH/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10;/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19);1H
InChIKey
YQVFCYCTITZLSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-(tert-butylamino)-2-hydroxypropoxy)-1H-benzo[d]imidazol-2(3H)-one hydrochloride
CAS: 64208-32-8
CID: 11957517
Formula: C14H22ClN3O3
MW: 315.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.79
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass315.1349693
Monoisotopic Mass315.1349693
Topological Polar Surface Area82.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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