Please Wait
Applying Filters...
menu
    • menu
    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    Virtual Booth

    Contact Supplier

    Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

    Virtual Booth

    Contact Supplier

    Moehs Group, a reference company in the production of pharmaceutical active ingredients.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    Safingol

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Dl-threo-dihydrosphingosine, 2304-75-8, 6036-86-8, Dihydrosphingosine, Dl-threo dihydrosphingosine, D-threo-dihydrosphingosine
    Molecular Formula
    C18H39NO2
    Molecular Weight
    301.5  g/mol
    InChI Key
    OTKJDMGTUTTYMP-QZTJIDSGSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2-aminooctadecane-1,3-diol
    2.1.2 InChI
    InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m1/s1
    2.1.3 InChI Key
    OTKJDMGTUTTYMP-QZTJIDSGSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC(C(CO)N)O
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCC[C@H]([C@@H](CO)N)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2-aminooctadecane-1,3-diol

    2. Dihydrosphingosine

    3. Erythro-d-sphinganine

    4. Safingol

    5. Safingol Hydrochloride

    6. Safingol, ((r*,s*)-(+-))-isomer

    7. Safingol, (r-(r*,r*))-isomer

    8. Safingol, (s-(r*,s*))-isomer

    9. Saginfol

    10. Spc 100270

    11. Spc-100270

    12. Sphinganine

    13. Threo-dihydrosphingosine

    2.2.2 Depositor-Supplied Synonyms

    1. Dl-threo-dihydrosphingosine

    2. 2304-75-8

    3. 6036-86-8

    4. Dihydrosphingosine

    5. Dl-threo Dihydrosphingosine

    6. D-threo-dihydrosphingosine

    7. 73938-69-9

    8. 3102-56-5

    9. Dl-erythro-1,3-dihydroxy-2-aminooctadecane

    10. Schembl3509781

    11. Zinc8216386

    12. Hsci1_000011

    13. Akos024458630

    14. Spc-100580

    15. J-009299

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 301.5 g/mol
    Molecular Formula C18H39NO2
    XLogP35.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count16
    Exact Mass301.298079487 g/mol
    Monoisotopic Mass301.298079487 g/mol
    Topological Polar Surface Area66.5 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity200
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)