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Chemistry

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Also known as: Methadol hydrochloride, Xzf6cw0cbc, Methadol hcl, Dimepheptanol hcl, 3-heptanol, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, Unii-xzf6cw0cbc
Molecular Formula
C21H30ClNO
Molecular Weight
347.9  g/mol
InChI Key
GMNBUMFCZAZBQG-UHFFFAOYSA-N

Methadol Hydrochloride
1 2D Structure

Methadol Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-hydroxy-4,4-diphenylheptan-2-yl)-dimethylazanium;chloride
2.1.2 InChI
InChI=1S/C21H29NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20,23H,5,16H2,1-4H3;1H
2.1.3 InChI Key
GMNBUMFCZAZBQG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Methadol Hydrochloride

2. Xzf6cw0cbc

3. Methadol Hcl

4. Dimepheptanol Hcl

5. 3-heptanol, 6-(dimethylamino)-4,4-diphenyl-, Hydrochloride

6. Unii-xzf6cw0cbc

7. Nsc 50384

8. 3-heptanol, 6-(n,n-dimethylamino)-4,4-diphenyl-, Hydrochloride

9. Benzeneethanol, Beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, Hydrochloride

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 347.9 g/mol
Molecular Formula C21H30ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass347.2015923 g/mol
Monoisotopic Mass347.2015923 g/mol
Topological Polar Surface Area24.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity311
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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