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Synopsis

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Chemistry

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Also known as: 93413-77-5, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol, Dinorvenlafaxine, 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol, D,l-n,n-didesmethyl venlafaxine, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

Molecular Formula

C₁₅H₂₃NO₂

Molecular Weight

249.35 g/mol

InChI Key

SUQHIQRIIBKNOR-UHFFFAOYSA-N

FDA UNII

3235EO37UJ

1 2D Structure

Dinorvenlafaxine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

2.1.2 InChI

InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3

2.1.3 InChI Key

SUQHIQRIIBKNOR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O

2.2 Other Identifiers

2.2.1 UNII

3235EO37UJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 93413-77-5

2. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol

3. Dinorvenlafaxine

4. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol

5. D,l-n,n-didesmethyl Venlafaxine

6. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

7. N,n-didesmethylvenlafaxine, (+/-)-

8. Chembl98158

9. Chebi:83446

10. 3235eo37uj

11. 1-(2-amino-1-(p-methoxyphenyl)ethyl)cyclohexanol

12. Cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)-

13. 2-(4-methoxyphenyl)-2-(1-hydroxycyclohexyl)-ethylamine

14. 1-[2-amino-1-(p-methoxyphenyl)ethyl]cyclohexanol

15. 1-(2-amino-1-(4-methoxy Phenyl)ethyl)cyclohexanol

16. Discontinued. Please See A611968

17. N,n-didesvenlafaxine

18. 1-[2-amino-1-(4-methoxy Phenyl)ethyl]cyclohexanol

19. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexan-1-ol

20. Unii-3235eo37uj

21. Venlafaxine Hydrochloride Impurity C [ep]

22. Venlafaxine Ep Impurity C

23. N,n-didesmethyl Venlafaxine

24. Schembl637250

25. Didesmethyl Venlafaxine, N,n-

26. (discontinued) See M745032

27. Dtxsid50891440

28. Venlafaxine Hydrochloride Impurity, Didesmethyl Venlafaxine- [usp]

29. 3,3-thiodipropionicaciddimethylester

30. Bdbm50010888

31. Mfcd07367622

32. Rac Cis-moxifloxacin-d4 Acyl Sulfate

33. Akos015994493

34. Ss-3413

35. Cs-0357626

36. Ft-0642244

37. 1-[2-amino-1(p-methoxyphenyl)ethyl]cyclohexanol

38. 1-[1-(4-methoxyphenyl)-2-aminoethyl]cyclohexanol

39. 413a775

40. A844587

41. 1-[2-amino-1-(4-methoxyphenyl)ethyl] Cyclohexanol

42. 1-[2-amino-1-(4-methoxyphenyl)ethyl]-cyclohexanol

43. 1-[2-amino-1-(p-methoxyphenyl)ethyl] Cyclohexanol

44. Q27156830

45. Venlafaxine Hydrochloride Impurity C [ep Impurity]

46. 1-[2-amino-1-(4-methoxy-phenyl)-ethyl]-cyclohexanol (hcl)

47. Venlafaxine Hydrochloride Impurity, Didesmethyl Venlafaxine- [usp Impurity]

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₃NO₂
Molecular Weight	249.35 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	249.172878976 g/mol
Monoisotopic Mass	249.172878976 g/mol
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 ATC Code

N06AX16

S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

N06AX16

S66 | EAWAGTPS | Parent-Transformation Product Pairs from Eawag | DOI:10.5281/zenodo.3754448

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