Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    USP reference standards; highly characterized specimens of drug substances, impurities, excipients, degradation products & more.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Virtual Booth

    Contact Supplier

    Guizhou Utide Biotechnology Co., Ltd. - Specialized GMP manufacturing for next-generation GLP-1 peptide APIs.

    Virtual Booth

    Contact Supplier

    Menu

    Ambamustine

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Ptt-119, 83996-50-3, Ptt 119, Ethyl (2s)-2-[[(2s)-2-[[(2s)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride, Ethyl (2s,5s)-5-[[(2s)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-6-[3-[bis(2-chloroethyl)amino]phenyl]-2-(2-methylsulfanylethyl)-4-oxohexanoate;hydrochloride, Ambamustine hcl
    Molecular Formula
    C30H41Cl3FN3O4S
    Molecular Weight
    665.1  g/mol
    InChI Key
    GLFJQXMGTAJTGY-AVBZIYQWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (2S,5S)-5-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-6-[3-[bis(2-chloroethyl)amino]phenyl]-2-(2-methylsulfanylethyl)-4-oxohexanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C30H40Cl2FN3O4S.ClH/c1-3-40-30(39)23(11-16-41-2)20-28(37)27(35-29(38)26(34)18-21-7-9-24(33)10-8-21)19-22-5-4-6-25(17-22)36(14-12-31)15-13-32;/h4-10,17,23,26-27H,3,11-16,18-20,34H2,1-2H3,(H,35,38);1H/t23-,26+,27+;/m1./s1
    2.1.3 InChI Key
    GLFJQXMGTAJTGY-AVBZIYQWSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(CCSC)CC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=C(C=C2)F)N.Cl
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](CCSC)CC(=O)[C@H](CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)[C@H](CC2=CC=C(C=C2)F)N.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-(4-fluorophenyl)ala-3-(3-bis(2-chloroethyl)aminophenyl)ala-met Ethyl Ester

    2. 3-(4-fluorophenyl)alanyl-3-(3-bis(2-chloroethyl)aminophenyl)alanyl-methionine Ethyl Ester

    3. Ambamustine

    4. Ptt 119

    5. Ptt-119

    6. Ptt.119

    2.2.2 Depositor-Supplied Synonyms

    1. Ptt-119

    2. 83996-50-3

    3. Ptt 119

    4. Ethyl (2s)-2-[[(2s)-2-[[(2s)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride

    5. Ethyl (2s,5s)-5-[[(2s)-2-amino-3-(4-fluorophenyl)propanoyl]amino]-6-[3-[bis(2-chloroethyl)amino]phenyl]-2-(2-methylsulfanylethyl)-4-oxohexanoate;hydrochloride

    6. Ambamustine Hcl

    7. Ccris 1548

    8. Pt 119

    9. Dtxsid201004255

    10. 2-amino-n-[1-{3-[bis(2-chloroethyl)amino]phenyl}-5-(ethoxycarbonyl)-7-(methylsulfanyl)-3-oxoheptan-2-yl]-3-(4-fluorophenyl)propanimidic Acid--hydrogen Chloride (1/1)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 665.1 g/mol
    Molecular Formula C30H41Cl3FN3O4S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count20
    Exact Mass663.186739 g/mol
    Monoisotopic Mass663.186739 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity785
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antineoplastic Agents

    Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.