Cas no 51110-01-1 (somatostatin)

somatostatin structure
somatostatin structure
Product Name:somatostatin
CAS No:51110-01-1
MF:C76H104N18O19S2
MW:1637.8781747818
CID:55945
PubChem ID:16129681
Update Time:2025-04-18

somatostatin Chemical and Physical Properties

Names and Identifiers

    • somatostatin
    • somatostatin gamma-irradiated*cell culture tested
    • Somatostatin 14
    • H-Ala-Gly-Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys-OH (Disulfide bond)
    • Somatostatin Acetate
    • Somatostatin-14 0.95
    • Growth hormone release-inhibiting factor
    • SCHEMBL3046327
    • AGCKNFFWKTFTSC
    • Somatostatin-14
    • NHXLMOGPVYXJNR-UHFFFAOYSA-N
    • NCGC00181005-01
    • AY 24910
    • SRIF
    • Somatotropin release-inhibiting factor
    • 38916-34-6
    • L000577
    • AGCKNFFWKTFTSC (modifications: Disulfide bridge between 3 - 14)
    • AKOS015896026
    • HB3088
    • BCA11001
    • CCRIS 7071
    • Stilamin
    • Somatostain Acetate
    • Aminopan
    • SRIF 14
    • Somiaton
    • FT-0630640
    • 51110-01-1
    • 19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-(2-aminopropanoylamino)acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
    • EINECS 256-969-7
    • Panhibin
    • DB-051897
    • (D-Trp8,D-Cys14)-Somatostatin-14
    • 19,34-bis(4-aminobutyl)-37-[2-(2-aminopropanamido)acetamido]-13,25,28-tribenzyl-31-(carbamoylmethyl)-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-4-carboxylic acid
    • Inchi: 1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)
    • InChI Key: NHXLMOGPVYXJNR-UHFFFAOYSA-N
    • SMILES: S1CC(C(NC(C(NC(CC(N)=O)C(NC(CC2C=CC=CC=2)C(NC(CC2C=CC=CC=2)C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(=O)O)CS1)=O)CO)=O)C(C)O)=O)CC1C=CC=CC=1)=O)C(C)O)=O)CCCCN)=O)CC1=CNC2C=CC=CC1=2)=O)=O)=O)=O)CCCCN)=O)NC(CNC(C(C)N)=O)=O

Computed Properties

  • Exact Mass: 1636.72000
  • Monoisotopic Mass: 1636.71665551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 22
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 115
  • Rotatable Bond Count: 26
  • Complexity: 3240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1000
  • XLogP3: -3.1
  • Topological Polar Surface Area: 664?2

Experimental Properties

  • Color/Form: powder
  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 1970.9±65.0 °C at 760 mmHg
  • Flash Point: 1145.7±34.3 °C
  • Solubility: H2O: 1?mg/mL
  • PSA: 663.83000
  • LogP: 2.28620
  • Solubility: Soluble in water
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

somatostatin Security Information

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