(R) -Bufuralol Hydrochloride

CAT: 0024-sc-212681BSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212681BSize:5 mg

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CAS Number

57704-11-7

Chemical Information

Bufuralol hydrochloride, (+)-

CAS Number	57704-11-7
PubChem CID	46780912
IUPAC Name	(1R)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;hydrochloride
Molecular Formula	C16H24ClNO2
Molecular Weight	297.82
Topological Polar Surface Area	45.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	287

SMILES

CCC1=CC=CC2=C1OC(=C2)[C@@H](CNC(C)(C)C)O.Cl

InChI

InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H/t13-;/m1./s1

InChIKey

KJBONRGCLLBWCJ-BTQNPOSSSA-N

Chemical Structure

2D Structure

CAS: 57704-11-7

CID: 46780912

Formula: C16H24ClNO2

MW: 297.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.82
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	297.1495567
Monoisotopic Mass	297.1495567
Topological Polar Surface Area	45.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-207384	Bufuralol hydrochloride
sc-207384A	Bufuralol hydrochloride
sc-207384D	Bufuralol hydrochloride
sc-207384B	Bufuralol hydrochloride
sc-207384C	Bufuralol hydrochloride
sc-217799	Bufuralol-d9 Hydrochloride
sc-212877	(S) -Bufuralol Hydrochloride
sc-478062	(R, R) -Palonosetron Hydrochloride
sc-473859	(R, R) -Sertraline Hydrochloride
sc-212635	(R, R) -Labetalol Hydrochloride

Catalog	Name
MBS5802236	Bufuralol (hydrochloride)
TRC-B689540-10MG	Bufuralol Hydrochloride
264497-01	(±) -Bufuralol hydrochloride
TRC-B689530-10MG	(R)-Bufuralol Hydrochloride
005057	(R) -Bufuralol Hydrochloride
MBS6015914-01	(S)-Bufuralol Hydrochloride
TRC-B689542-10MG	Bufuralol-d9 Hydrochloride
263325-01	S-Bufuralol hydrochloride
HY-105124AR	Bufuralol (hydrochloride) (Standard)
HY-105124S	Bufuralol-d9 (hydrochloride)