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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous 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

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 Formula	C₁₇H₃₂ClNO
Molecular Weight	301.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	301.2172423 g/mol
Monoisotopic Mass	301.2172423 g/mol
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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