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rac Bopindolol

CAT: 0572-TRC-B675400-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B675400-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62658-63-3
Synonyms
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, 2-benzoate; 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester) (9CI); 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[(2-methyl-1H-indol-4-yl)oxy]-, benzoate (ester), (±)-; (±)-Bopindolol; Bopindolol; rac Bopindolol
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1
Molecular Formula
C23 H28 N2 O3
Molecular Weight
380.48
InChI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
Additionnal Information
IUPAC name: [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bopindolol

1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate is a methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. It is an aromatic ether, a benzoate ester, a methylindole and a secondary amino compound.

CAS Number62658-63-3
PubChem CID44112
IUPAC Name[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
Molecular FormulaC23H28N2O3
Molecular Weight380.5
XLogP4.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity499
SMILES
CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3
InChIKey
UUOJIACWOAYWEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bopindolol
CAS: 62658-63-3
CID: 44112
Formula: C23H28N2O3
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass380.20999276
Monoisotopic Mass380.20999276
Topological Polar Surface Area63.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FB37307-01Bopindolol
HY-B1562B-01Bopindolol (malonate)
MBS387797-01Bopindolol malonate
sc-503926Rac Bopindolol
T63356-01Bopindolol fumarate
HY-W742404-01Bopindolol-d9
HY-B1562CBopindolol (fumarate)
A13398-1000Bopindolol malonate 1000mg
A13398-500Bopindolol malonate 500mg
A13398-250Bopindolol malonate 250mg

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