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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 69-43-2, Prenylamine lactate [jan], 6j3j6sxi7v, Angormin, Coredamin, Corontin

Molecular Formula

C₂₇H₃₃NO₃

Molecular Weight

419.6 g/mol

InChI Key

QPOFIDVRLWJICD-UHFFFAOYSA-N

FDA UNII

6J3J6SXI7V

1 2D Structure

Prenylamine Lactate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine;2-hydroxypropanoic acid

2.1.2 InChI

InChI=1S/C24H27N.C3H6O3/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-2(4)3(5)6/h2-16,20,24-25H,17-19H2,1H3;2,4H,1H3,(H,5,6)

2.1.3 InChI Key

QPOFIDVRLWJICD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.CC(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

6J3J6SXI7V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 69-43-2

2. Prenylamine Lactate [jan]

3. 6j3j6sxi7v

4. Angormin

5. Coredamin

6. Corontin

7. Crepasin

8. Incoran

9. Irrorin

10. Plactamin

11. Reocorin

12. Seccidin

13. Sedolatan

14. Agozol

15. Roinin

16. Prenylamine Lactate (jan)

17. 3,3-diphenyl-n-(1-phenylpropan-2-yl)propan-1-amine;2-hydroxypropanoic Acid

18. Einecs 200-705-5

19. Unii-6j3j6sxi7v

20. Segontin (tn)

21. Prestwick_878

22. N-(3,3-diphenylpropyl)-alpha-methylphenethylamine Lactate

23. Dl-prenylamine Lactate

24. Mls002153874

25. Chembl1367944

26. Prenylamine Lactate [mi]

27. Schembl10614915

28. Hms1569p21

29. Hms2233j09

30. Hms3372i12

31. Hms3713p21

32. Phenethylamine, N-(3,3-diphenylpropyl)-alpha-methyl-, Lactate

33. Prenylamine Lactate [mart.]

34. Prenylamine Lactate [who-dd]

35. Ccg-220560

36. Smr001233228

37. D02167

38. Sr-01000838858

39. Sr-01000838858-2

40. Q27264978

41. Benzenepropanamine, N-(1-methyl-2-phenylethyl)-.gamma.-phenyl-, 2-hydroxypropanoate

42. Lactic Acid, Compd. With N-(3,3-diphenylpropyl)-.alpha.-methylphenethylamine (1:1)

43. 2-hydroxypropanoic Acid Compd. With N-(1-methyl-2-phenylethyl)-gamma-phenylbenzenepropanamine (1:1)

44. Propanoic Acid, 2-hydroxy-, Compd. With N-(1-methyl-2-phenylethyl)-.gamma.-phenylbenzenepropanamine (1:1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₃NO₃
Molecular Weight	419.6 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	419.24604391 g/mol
Monoisotopic Mass	419.24604391 g/mol
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	375
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