Scopine Methobromide

CAT: 0024-sc-472781Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-472781Size:2.5 mg

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CAS Number

1508-46-9

Chemical Information

Scopine Methobromide

CAS Number	1508-46-9
PubChem CID	24191214
IUPAC Name	9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-ol bromide
Molecular Formula	C9H16BrNO2
Molecular Weight	250.13
Topological Polar Surface Area	32.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	209

SMILES

C[N+]1(C2CC(CC1C3C2O3)O)C.[Br-]

InChI

InChI=1S/C9H16NO2.BrH/c1-10(2)6-3-5(11)4-7(10)9-8(6)12-9;/h5-9,11H,3-4H2,1-2H3;1H/q+1;/p-1

InChIKey

IKDFZBCJDLZSNH-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1508-46-9

CID: 24191214

Formula: C9H16BrNO2

MW: 250.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.13
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	249.03644
Monoisotopic Mass	249.03644
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-473215	Scopoline Methobromide
sc-338580	Scopine
sc-338580A	Scopine
sc-338580B	Scopine
sc-200436	(-) -Bicuculline methobromide
sc-473213	Scopine hydrochloride
sc-489171	N-Isopropylnortropine Methobromide-D3 (Impurity)
sc-481896A	Scopoline
sc-481896	Scopoline
sc-78266	Scotin siRNA (h)