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    Secretin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: Secrepan, 1393-25-5, Secretin, human, Secretolin, Vitrum, Secreflow
    Molecular Formula
    C130H219N43O42
    Molecular Weight
    3056.4  g/mol
    InChI Key
    KKNIUBFRGPFELP-UHFFFAOYSA-N
    A peptide hormone of about 27 amino acids from the duodenal mucosa that activates pancreatic secretion and lowers the blood sugar level. (USAN and the USP Dictionary of Drug Names, 1994, p597)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[5-amino-1-[[2-[[1-[(1-carboxy-2-methylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-2-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C130H219N43O42/c1-59(2)43-78(118(206)172-99(65(13)14)126(214)215)151-94(182)53-148-104(192)75(31-34-91(132)180)156-113(201)81(46-62(7)8)163-115(203)82(47-63(9)10)161-107(195)72(28-22-38-145-128(136)137)153-110(198)76(32-35-92(133)181)157-114(202)80(45-61(5)6)159-106(194)71(27-21-37-144-127(134)135)152-102(190)66(15)150-120(208)87(55-174)168-117(205)86(52-98(188)189)165-109(197)73(29-23-39-146-129(138)139)154-112(200)79(44-60(3)4)160-108(196)74(30-24-40-147-130(140)141)155-121(209)89(57-176)169-116(204)83(48-64(11)12)162-111(199)77(33-36-96(184)185)158-122(210)90(58-177)170-125(213)101(68(17)179)173-119(207)84(49-69-25-19-18-20-26-69)166-124(212)100(67(16)178)171-95(183)54-149-105(193)85(51-97(186)187)164-123(211)88(56-175)167-103(191)70(131)50-93-142-41-42-143-93/h18-20,25-26,41-42,59-68,70-90,99-101,174-179H,21-24,27-40,43-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H,142,143)(H,148,192)(H,149,193)(H,150,208)(H,151,182)(H,152,190)(H,153,198)(H,154,200)(H,155,209)(H,156,201)(H,157,202)(H,158,210)(H,159,194)(H,160,196)(H,161,195)(H,162,199)(H,163,203)(H,164,211)(H,165,197)(H,166,212)(H,167,191)(H,168,205)(H,169,204)(H,170,213)(H,171,183)(H,172,206)(H,173,207)(H,184,185)(H,186,187)(H,188,189)(H,214,215)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)
    2.1.3 InChI Key
    KKNIUBFRGPFELP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Pig Secretin

    2. Pig Secretin Citrate

    3. Pig Secretin Maleate

    4. Pig Secretin Pentacetate

    5. Pig Secretin Sulfate

    6. Secrepan

    7. Secretin Citrate, Pig

    8. Secretin Kabi

    9. Secretin Maleate, Pig

    10. Secretin Pentacetate, Pig

    11. Secretin Sulfate, Pig

    12. Secretin, Pig

    13. Secretin-kabi

    14. Secretinkabi

    2.2.2 Depositor-Supplied Synonyms

    1. Secrepan

    2. 1393-25-5

    3. Secretin, Human

    4. Secretolin

    5. Vitrum

    6. Secreflow

    7. Secretin-kabi

    8. Secretina

    9. Secretine

    10. Secretinum

    11. Secretin-ferring

    12. Secretine [inn-french]

    13. Secretinum [inn-latin]

    14. Secretina [inn-spanish]

    15. Einecs 215-733-3

    16. Unii-88c55n56uu

    17. Secretin [usan:inn:ban:dcf:jan]

    18. Hormone Of The Duodenal Mucosa That Activates Pancreatic Secretion And Lowers The Blood Sugar Level

    19. Schembl677502

    20. Secretin Synthetic Human

    21. Gtpl1155

    22. Gtpl3643

    23. Secretin (porcine), 15-l-glutamic Acid-16-glycine-

    24. 88c55n56uu

    25. Akos015896025

    26. L-histidyl-l-seryl-l-alpha-aspartylglycyl-l-threonyl-l-phenylalanyl-l-threonyl-l-seryl-l-alpha-glutamyl-l-leucyl-l-seryl-l-arginyl-l-leucyl-l-arginyl-l-alpha-aspartyl-l-seryl-l-alanyl-l-arginyl-l-leucyl-l-glutaminyl-l-arginyl-l-leucyl-l-leucyl-l-glutaminylglycyl-l-leucyl-l-valinamide

    27. L-histidyl-l-seryl-l-alpha-aspartylglycyl-l-threonyl-l-phenylalanyl-l-threonyl-l-seryl-l-alpha-glutamyl-l-leucyl-l-seryl-l-arginyl-l-leucyl-l-arginyl-l-alpha-glutamylglycyl-l-alanyl-l-arginyl-l-leucyl-l-glutaminyl-l-arginyl-l-leucyl-l-leucyl-l-glutaminylglycyl-l-leucyl-l-valinamide

    28. Q27088772

    2.3 Create Date
    2007-07-03
    3 Chemical and Physical Properties
    Molecular Weight 3056.4 g/mol
    Molecular Formula C130H219N43O42
    XLogP3-13.4
    Hydrogen Bond Donor Count52
    Hydrogen Bond Acceptor Count48
    Rotatable Bond Count109
    Exact Mass3055.6356330 g/mol
    Monoisotopic Mass3054.6322782 g/mol
    Topological Polar Surface Area1420 Ų
    Heavy Atom Count215
    Formal Charge0
    Complexity6980
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count27
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameSecreflo
    Active IngredientSecretin
    Dosage FormFor solution
    Routeintravenous
    Strength16ugm/vial
    Market StatusPrescription
    CompanyChirhoclin

    2 of 2  
    Drug NameSecreflo
    Active IngredientSecretin
    Dosage FormFor solution
    Routeintravenous
    Strength16ugm/vial
    Market StatusPrescription
    CompanyChirhoclin

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

    Hormones

    Chemical substances having a specific regulatory effect on the activity of a certain organ or organs. The term was originally applied to substances secreted by various ENDOCRINE GLANDS and transported in the bloodstream to the target organs. It is sometimes extended to include those substances that are not produced by the endocrine glands but that have similar effects. (See all compounds classified as Hormones.)