Caramiphen hydrochloride

CAT: 0926-FC59610Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FC59610Size:25 mg

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CAS Number

125-85-9

MDL Number

MFCD00242608

Smiles

CCN (CC) CCOC (=O) C1 (CCCC1) C2=CC=CC=C2.Cl

Molecular Formula

C18H27NO2 · HCl

Controlled

Chemical Information

Caramiphen Hydrochloride

See also: Caramiphen (has active moiety).

CAS Number	125-85-9
PubChem CID	67173
IUPAC Name	2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Molecular Formula	C18H28ClNO2
Molecular Weight	325.9
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	313

SMILES

CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H27NO2.ClH/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1H

InChIKey

MUPNXGNOIBYHSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125-85-9

CID: 67173

Formula: C18H28ClNO2

MW: 325.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	325.1808568
Monoisotopic Mass	325.1808568
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	313
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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