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    Technical details about MolPort-001-792-731, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-792-731

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 1446-61-3, (+)-dehydroabietylamine, Leelamine, Dehydroabiethylamine, ((1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine, Amine d
    Molecular Formula
    C20H31N
    Molecular Weight
    285.5  g/mol
    InChI Key
    JVVXZOOGOGPDRZ-SLFFLAALSA-N
    FDA UNII
    33289O147P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
    2.1.2 InChI
    InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
    2.1.3 InChI Key
    JVVXZOOGOGPDRZ-SLFFLAALSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
    2.1.5 Isomeric SMILES
    CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C
    2.2 Other Identifiers
    2.2.1 UNII
    33289O147P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Leelamine

    2.3.2 Depositor-Supplied Synonyms

    1. 1446-61-3

    2. (+)-dehydroabietylamine

    3. Leelamine

    4. Dehydroabiethylamine

    5. ((1r,4as,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine

    6. Amine D

    7. Chembl70488

    8. Nsc-2955

    9. 33289o147p

    10. 1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r,4as,10ar)-

    11. Caswell No. 276

    12. Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-

    13. Lylamine

    14. Hsdb 5665

    15. Unii-33289o147p

    16. Einecs 215-899-7

    17. Epa Pesticide Chemical Code 004206

    18. Brn 3084620

    19. 13-isopropylpodocarpa-8,11,13-trien-15-amine

    20. Schembl27863

    21. Dehydroabietylamine (>80%)

    22. 4-12-00-03005 (beilstein Handbook Reference)

    23. Mls002207102

    24. Dtxsid2041834

    25. Chebi:93086

    26. Dehydroabietylamine [hsdb]

    27. Nsc2955

    28. (+)-dehydroabietylamine; >95%

    29. Nsc 2955

    30. Zinc3860856

    31. Bdbm50217007

    32. Akos015914070

    33. Cs-w005629

    34. Hy-w005629

    35. 1-phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r-(1alpha,4abeta,10aalpha))-

    36. Ds-18554

    37. Smr001306713

    38. D1180

    39. D1588

    40. (+)-dehydroabietylamine, Technical Grade, 60%

    41. Podocarpa-8,13-trien-15-amine, 13-isopropyl-

    42. A884771

    43. W-108153

    44. Brd-k62289640-003-01-9

    45. Q15409408

    46. 1-phenanthrenemethanamine 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,(1r,4as,10ar)-

    47. 1-phenanthrenemethanamine,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 285.5 g/mol
    Molecular Formula C20H31N
    XLogP35.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass285.245649993 g/mol
    Monoisotopic Mass285.245649993 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity376
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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