Bupropion hydrochloride

CAT: 0926-FB61552-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FB61552-01Size:100 g

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CAS Number

31677-93-7

MDL Number

MFCD00055209

Smiles

CC (C (=O) C1=CC (=CC=C1) Cl) NC (C) (C) C.Cl

Molecular Formula

C13H18ClNO•HCl

Molecular Weight

276.2 g/mol

Controlled

Chemical Information

Bupropion Hydrochloride

Bupropion hydrochloride is an aromatic ketone.

CAS Number	31677-93-7
PubChem CID	62884
IUPAC Name	2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride
Molecular Formula	C13H19Cl2NO
Molecular Weight	276.20
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	247

SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl

InChI

InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H

InChIKey

HEYVINCGKDONRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31677-93-7

CID: 62884

Formula: C13H19Cl2NO

MW: 276.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.20
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	275.0843696
Monoisotopic Mass	275.0843696
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
WDC60165-01	Deschloro bupropion-d9 hydrochloride
SFC20960-01	(S, S) -Dihydro bupropion-d9 hydrochloride
WDC60403-01	3-Deschloro-2-chloro bupropion-d9 hydrochloride
FF23352-01	4-Fluoro bupropion
IB182449-01	Bupropion impurity 9
RYB89318-01	Hydroxy Bupropion-d6
IB159729-01	Bupropion (R) -Isomer
FH23925-01	(R, R) -Hydroxy bupropion
FC19938-01	4-Chloro bupropion fumarate
FH23926-01	(S, S) -Hydroxy bupropion

Catalog	Name
B3326-50	Bupropion hydrochloride
MBS6096736-01	Bupropion-d9, Hydrochloride
MBS6097424-01	Deschloro Bupropion Hydrochloride
TRC-B689627-1MG	Bupropion-d9 Hydrochloride
TRC-H830685-100MG	Hydroxy Bupropion Hydrochloride
CS-CX-00191	Bupropion hydrochloride 13C6
217232	Bupropion Hydrochloride (Dopamine and Noradrenalin Transporter Inibitor, Bupropion)
TRC-D450473-10MG	threo-Dihydro Bupropion Hydrochloride
TRC-H830678-75MG	Hydroxy Bupropion-d6 Hydrochloride