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    CAS 116539-55-0

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    CAS 116539-55-0
    Also known as: 116539-55-0, (1s)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol, 3-(n-methylamino)-1-(2-thienyl)-1-propanol, (-)-, (1s)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol, (s)-(-)-3-methylamino-1-(2-thienyl)propan-1-ol, (s)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol
    Molecular Formula
    C8H13NOS
    Molecular Weight
    171.26  g/mol
    InChI Key
    YEJVVFOJMOHFRL-ZETCQYMHSA-N
    FDA UNII
    43P2XE546O
    1 2D Structure

    CAS 116539-55-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
    2.1.2 InChI
    InChI=1S/C8H13NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6-7,9-10H,4-5H2,1H3/t7-/m0/s1
    2.1.3 InChI Key
    YEJVVFOJMOHFRL-ZETCQYMHSA-N
    2.1.4 Canonical SMILES
    CNCCC(C1=CC=CS1)O
    2.1.5 Isomeric SMILES
    CNCC[C@@H](C1=CC=CS1)O
    2.2 Other Identifiers
    2.2.1 UNII
    43P2XE546O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 116539-55-0

    2. (1s)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol

    3. 3-(n-methylamino)-1-(2-thienyl)-1-propanol, (-)-

    4. (1s)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol

    5. (s)-(-)-3-methylamino-1-(2-thienyl)propan-1-ol

    6. (s)-3-(methylamino)-1-(thiophen-2-yl)propan-1-ol

    7. 43p2xe546o

    8. (s)-3-(methylamino)-1-(2-thienyl)propan-1-ol

    9. N-methyl-(s)-(-)-3-hydroxy-3-(2-thiophen)propylamine

    10. (1s)-(-)-3-(methylamino)-1-(thien-2-yl)propan-1-ol

    11. (s)-3-(methylamino)-1-(2-thienyl)-1-propanol

    12. (1s)-3-methylamino-1-(2-thienyl)-1-propanol

    13. (s)-3-(n-methylamino)-1-(2-thienyl)-1-propanol

    14. (s)-1-beta-hydroxy-1-(2-thienyl)-3-methylaminopropane

    15. 2-thiophenemethanol, Alpha-(2-(methylamino)ethyl)-, (alphas)-

    16. 2-thiophenemethanol, Alpha-[2-(methylamino)ethyl]-, (alphas)-

    17. Unii-43p2xe546o

    18. Mfcd07357308

    19. (1s)-3-(methylamino)-1-(2-thienyl)propan-1-ol

    20. (s)-3-methylamino-1-thiophen-2-yl-propan-1-ol

    21. Duloxetine Hydrochloride Impurity B [ep]

    22. Ec 601-437-5

    23. Schembl98019

    24. (s)-3-methylamino-1-(thiophene-2-yl)propan-1-ol

    25. Dtxsid20151422

    26. Act07226

    27. Cs-m3028

    28. Zinc14982906

    29. Akos006284313

    30. Ac-5321

    31. Ds-1147

    32. Db-001143

    33. M2157

    34. (1s)-3-(methylamino)-1-(2-thienyl)-1-propanol

    35. (s) -3-methyl-amino-1-(2-thienyl)-1-propanol

    36. (s)-n-methyl-3-hydroxy-3-(2-thienyl)propylamine

    37. (-)-3-(n-methylamino)-1-(2-thienyl)-1-propanol

    38. (s)-2-[3-(methylamino)-1-hydroxypropyl]thiophene

    39. (s)-(-)-3-methylamino-1-(2-thienyl)-propan-1-ol

    40. (s)-3-methylamino-1-(2-thienyl)-1-propanol

    41. (s)-n-methyl-3-hydroxy-3-(2-thienyl)-1-propanamine

    42. Q27258657

    43. Duloxetine Hydrochloride Impurity B [ep Impurity]

    44. S)-(-)-n -methyl-3-hydroxy-3-(2-thienyl)propanamine

    45. 2-thiophenemethanol, .alpha.-(2-(methylamino)ethyl)-, (.alpha.s)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 171.26 g/mol
    Molecular Formula C8H13NOS
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass171.07178521 g/mol
    Monoisotopic Mass171.07178521 g/mol
    Topological Polar Surface Area60.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity110
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...
    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

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