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    Pasireotide Pamoate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    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