loader
Please Wait
Applying Filters...

Minakem Generic APIs Minakem Generic APIs

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Duocarmazine, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Duocarmazine

    APIs // Active Pharmaceutical Ingredients

    DIGITAL CONTENT

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: Duocarmazine, 1345681-58-4, Syd980, Duocarmazine [usan], Dy9hdn3i6s, Duocarmazine (usan)
    Molecular Formula
    C65H75ClN12O17
    Molecular Weight
    1331.8  g/mol
    InChI Key
    RFQYSAASDBNNDZ-UCGHAGIGSA-N
    FDA UNII
    DY9HDN3I6S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
    2.1.2 InChI
    InChI=1S/C65H75ClN12O17/c1-39(2)57(73-63(88)93-32-31-92-29-26-77-53(81)20-21-54(77)82)60(85)72-48(9-6-22-68-62(67)87)59(84)69-44-14-10-41(11-15-44)38-94-64(89)74(4)23-24-75(25-28-91-30-27-79)65(90)95-51-33-50-56(55-40(3)7-5-8-47(51)55)43(34-66)35-78(50)61(86)49-37-76-36-45(16-19-52(76)71-49)70-58(83)42-12-17-46(80)18-13-42/h5,7-8,10-21,33,36-37,39,43,48,57,79-80H,6,9,22-32,34-35,38H2,1-4H3,(H,69,84)(H,70,83)(H,72,85)(H,73,88)(H3,67,68,87)/t43-,48+,57+/m1/s1
    2.1.3 InChI Key
    RFQYSAASDBNNDZ-UCGHAGIGSA-N
    2.1.4 Canonical SMILES
    CC1=C2C(=CC=C1)C(=CC3=C2C(CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)OC(=O)N(CCN(C)C(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)OCCOCCN8C(=O)C=CC8=O)CCOCCO
    2.1.5 Isomeric SMILES
    CC1=C2C(=CC=C1)C(=CC3=C2[C@@H](CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)O)CCl)OC(=O)N(CCN(C)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)OCCOCCN8C(=O)C=CC8=O)CCOCCO
    2.2 Other Identifiers
    2.2.1 UNII
    DY9HDN3I6S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Duocarmazine

    2. 1345681-58-4

    3. Syd980

    4. Duocarmazine [usan]

    5. Dy9hdn3i6s

    6. Duocarmazine (usan)

    7. [(1s)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2s)-5-(carbamoylamino)-2-[[(2s)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-n-[2-(2-hydroxyethoxy)ethyl]carbamate

    8. Unii-dy9hdn3i6s

    9. Chembl4298143

    10. Schembl12286766

    11. Ex-a6324

    12. Hy-128957

    13. Cs-0102852

    14. D11511

    15. L-ornithinamide, N-((2-(2-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)ethoxy)ethoxy)carbonyl)-l-valyl-n5-(aminocarbonyl)-n-(4-(7-((((1s)-1-(chloromethyl)-2,3-dihydro-3-((6-((4-hydroxybenzoyl)amino)imidazo(1,2-a)pyridin-2-yl)carbonyl)-9-methyl-1h-benz(e)indol-5

    16. L-ornithinamide, N-((2-(2-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)ethoxy)ethoxy)carbonyl)-l-valyl-n5-(aminocarbonyl)-n-(4-(7-((((1s)-1-(chloromethyl)-2,3-dihydro-3-((6-((4-hydroxybenzoyl)amino)imidazo(1,2-a)pyridin-2-yl)carbonyl)-9-methyl-1h-benz(e)indol-5-yl)oxy)carbonyl)-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl)phenyl)-

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 1331.8 g/mol
    Molecular Formula C65H75ClN12O17
    XLogP34.2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count34
    Exact Mass1330.5061667 g/mol
    Monoisotopic Mass1330.5061667 g/mol
    Topological Polar Surface Area374 Ų
    Heavy Atom Count95
    Formal Charge0
    Complexity2630
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY