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ACTIVE PHARMA INGREDIENTS

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3 USDMF

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Chemistry

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Also known as: 38345-66-3, D-oxyphene, (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol, (+)-darvon alcohol, (2s,3r)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol, Oxyphene

Molecular Formula

C₁₉H₂₅NO

Molecular Weight

283.4 g/mol

InChI Key

INTCGJHAECYOBW-APWZRJJASA-N

FDA UNII

5917USS6PV

1 2D Structure

Dextrocarbinol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

2.1.2 InChI

InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1

2.1.3 InChI Key

INTCGJHAECYOBW-APWZRJJASA-N

2.1.4 Canonical SMILES

CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)O

2.1.5 Isomeric SMILES

C[C@H](CN(C)C)[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)O

2.2 Other Identifiers

2.2.1 UNII

5917USS6PV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 38345-66-3

2. D-oxyphene

3. (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol

4. (+)-darvon Alcohol

5. (2s,3r)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol

6. Oxyphene

7. 5917uss6pv

8. Darvon Alcohol

9. Mosher's Reagent

10. (+)-oxyphene

11. Unii-5917uss6pv

12. (2s,3r)-4-(dimethylamino)-1,2-diphenyl-3-methylbutan-2-ol (oxyphene)

13. Einecs 253-893-6

14. Chirald(r), 99%

15. Chirald [mi]

16. Schembl924297

17. Zinc56565

18. Dtxsid70273961

19. Akos015894842

20. (s-(r*,s*))-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenylphenethyl Alcohol

21. (2s,3r)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol, (2s,3r)-(+)-4-dimethylamino-3-methyl-1,2-diphenyl-2-butanol, Dextrocarbinol Base

22. W-110904

23. Q27261634

24. Dextropropoxyphene Hydrochloride Impurity A [ep Impurity]

25. [s-(r*,s*)]-[2-(dimethylamino)-1-methylethyl]-phenylphenethyl Alcohol

26. Benzeneethanol, ?-[(1r)-2-(dimethylamino)-1-methylethyl]-?-phenyl-, (?s)-

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₅NO
Molecular Weight	283.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	283.193614421 g/mol
Monoisotopic Mass	283.193614421 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1