loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 04F55A7UZ3, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    04F55A7UZ3

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    DRUG PRODUCT COMPOSITION

    GLOBAL SALES INFORMATION

    PATENTS

    DIGITAL CONTENT

    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: Pasireotide embonate, Som230 pamoate, Som-230 pamoate, Pasireotide (pamoate), Signifor lar, 396091-79-5 (pamoate)
    Molecular Formula
    C81H82N10O15
    Molecular Weight
    1435.6  g/mol
    InChI Key
    HSXBEUMRBMAVDP-QKXVGOHISA-N
    FDA UNII
    04F55A7UZ3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C58H66N10O9.C23H16O6/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);1-10,24-25H,11H2,(H,26,27)(H,28,29)/t43-,46+,47+,48-,49+,50+,51+;/m1./s1
    2.1.3 InChI Key
    HSXBEUMRBMAVDP-QKXVGOHISA-N
    2.1.4 Canonical SMILES
    C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    04F55A7UZ3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pasireotide Embonate

    2. Som230 Pamoate

    3. Som-230 Pamoate

    4. Pasireotide (pamoate)

    5. Signifor Lar

    6. 396091-79-5 (pamoate)

    7. 396091-79-5

    8. 04f55a7uz3

    9. Cyclo((2s)-2-phenylglycyl-d-tryptophyl-l-lysyl-o-(phenylmethyl)-l-tyrosyl-l-phenylalanyl-(4r)-4-((((2-aminoethyl)amino)carbonyl)oxy)-l-prolyl), 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1)

    10. (3s,6r,9s,12s,15s,19r,20as)-6-((1h-indol-3-yl)methyl)-9-(4-aminobutyl)-15-benzyl-12-(4-(benzyloxy)benzyl)-1,4,7,10,13,16-hexaoxo-3-phenylicosahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecin-19-yl (2-aminoethyl)carbamate 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate)

    11. Pasireotide Pamoate [jan]

    12. Unii-04f55a7uz3

    13. Pasireotide Embonate [who-dd]

    14. Pasireotide Pamoate [orange Book]

    15. Hy-108768

    16. Cs-0031013

    17. Q27247644

    18. [(3s,6s,9s,12r,15s,18s,20r)-9-(4-aminobutyl)-3-benzyl-12-(1h-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic Acid

    2.4 Create Date
    2007-01-09
    3 Chemical and Physical Properties
    Molecular Weight 1435.6 g/mol
    Molecular Formula C81H82N10O15
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count22
    Exact Mass1434.59611195 g/mol
    Monoisotopic Mass1434.59611195 g/mol
    Topological Polar Surface Area396 Ų
    Heavy Atom Count106
    Formal Charge0
    Complexity2510
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    Post Enquiry
    POST ENQUIRY