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Chemistry

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Also known as: 68342-78-9, Nopoxamine hydrochloride, Myrtecaine hcl, Chlorhydrate de nopoxamine [french], Chlorhydrate de nopoxamine, 2-(2-(6,6-dimethyl-2-norpinen-2-yl)ethoxy)triethylamine hydrochloride
Molecular Formula
C17H32ClNO
Molecular Weight
301.9  g/mol
InChI Key
XHEAFBNXHWYLFE-UHFFFAOYSA-N

Nopoxamine Hydrochloride
1 2D Structure

Nopoxamine Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-N,N-diethylethanamine;hydrochloride
2.1.2 InChI
InChI=1S/C17H31NO.ClH/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4;/h7,15-16H,5-6,8-13H2,1-4H3;1H
2.1.3 InChI Key
XHEAFBNXHWYLFE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CC)CCOCCC1=CCC2CC1C2(C)C.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 68342-78-9

2. Nopoxamine Hydrochloride

3. Myrtecaine Hcl

4. Chlorhydrate De Nopoxamine [french]

5. Chlorhydrate De Nopoxamine

6. 2-(2-(6,6-dimethyl-2-norpinen-2-yl)ethoxy)triethylamine Hydrochloride

7. Ethanamine, 2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-n,n-diethyl-, Hydrochloride

8. Dtxsid40987886

9. Triethylamine, 2-(2-(6,6-dimethyl-2-norpinen-2-yl)ethoxy)-, Hydrochloride

10. 2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethoxy]-n,n-diethylethan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 301.9 g/mol
Molecular Formula C17H32ClNO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass301.2172423 g/mol
Monoisotopic Mass301.2172423 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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