Difemerine Hydrochloride

Synopsis, Chemistry

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Also known as: Luostyl, Difemerine hcl, 70280-88-5, 00jm91q28f, 2-(dimethylamino)-1,1-dimethylethyl diphenylglycolate hydrochloride, [2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

Molecular Formula

C₂₀H₂₆ClNO₃

Molecular Weight

363.9 g/mol

InChI Key

CKTQYKFSILWWCR-UHFFFAOYSA-N

FDA UNII

00JM91Q28F

1 2D Structure

Difemerine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

2.1.2 InChI

InChI=1S/C20H25NO3.ClH/c1-19(2,21(3)4)15-24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,23H,15H2,1-4H3;1H

2.1.3 InChI Key

CKTQYKFSILWWCR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

00JM91Q28F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Luostyl

2. Difemerine Hcl

3. 70280-88-5

4. 00jm91q28f

5. 2-(dimethylamino)-1,1-dimethylethyl Diphenylglycolate Hydrochloride

6. [2-(dimethylamino)-2-methylpropyl] 2-hydroxy-2,2-diphenylacetate;hydrochloride

7. Difemerin Hydrochlorid

8. Unii-00jm91q28f

9. Dtxsid90220513

10. Einecs 274-526-6

11. Difemerine Hydrochloride [mi]

12. Up 0357

13. Difemerine Hydrochloride [mart.]

14. Difemerine Hydrochloride [who-dd]

15. Q27231355

16. 2-(dimethylamino)-1,1-dimethylethyl Benzilate, Hydrochloride

17. .alpha.-hydroxy-.alpha.-phenylbenzeneacetic Acid 2-(dimethylamino)-2-methylpropyl Ester, Hydrochloride

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNO₃
Molecular Weight	363.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	363.1601214 g/mol
Monoisotopic Mass	363.1601214 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	389
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