Ibopamine Hydrochloride

CAT: 0024-sc-471175ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-471175ASize:100 mg

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CAS Number

75011-65-3

Chemical Information

Ibopamine Hydrochloride

CAS Number	75011-65-3
PubChem CID	156320
IUPAC Name	[4-[2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrochloride
Molecular Formula	C17H26ClNO4
Molecular Weight	343.8
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	368

SMILES

CC(C)C(=O)OC1=C(C=C(C=C1)CCNC)OC(=O)C(C)C.Cl

InChI

InChI=1S/C17H25NO4.ClH/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4;/h6-7,10-12,18H,8-9H2,1-5H3;1H

InChIKey

ALIXRWKJZYLBJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75011-65-3

CID: 156320

Formula: C17H26ClNO4

MW: 343.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	343.1550360
Monoisotopic Mass	343.1550360
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	368
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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