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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

Difemerine Hydrochloride
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 Weight 363.9 g/mol
Molecular Formula C20H26ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass363.1601214 g/mol
Monoisotopic Mass363.1601214 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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