Lanreotide
[CAS# 118992-92-0]

Identification

• Name: Lanreotide
• Synonyms: 10-(4-Aminobutyl)-19-[[2-Amino-3-(2-Naphthyl)Propanoyl]Amino]-N-(1-Carbamoyl-2-Hydroxy-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide; 10-(4-Aminobutyl)-19-[[2-Amino-3-(2-Naphthyl)-1-Oxopropyl]Amino]-N-(1-Carbamoyl-2-Hydroxypropyl)-16-[(4-Hydroxyphenyl)Methyl]-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide; 10-(4-Aminobutyl)-19-[[2-Amino-3-(2-Naphthyl)Propanoyl]Amino]-N-(1-Carbamoyl-2-Hydroxy-Propyl)-16-(4-Hydroxybenzyl)-13-(1H-Indol-3-Ylmethyl)-7-Isopropyl-6,9,12,15,18-Pentaketo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carboxamide
• Molecular Formula: C₅₄H₆₉N₁₁O₁₀S₂
• Molecular Weight: 1096.33
• CAS Registry Number: 118992-92-0
• SMILES: C2=C(C1=C(C=CC=C1)[NH]2)CC6NC(C(CC3=CC=C(O)C=C3)NC(C(NC(C(CC4=CC=C5C(=C4)C=CC=C5)N)=O)CSSCC(NC(C(NC(C(NC6=O)CCCCN)=O)C(C)C)=O)C(NC(C(C)O)C(N)=O)=O)=O)=O
• InChI: 1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)
• InChIKey: PUDHBTGHUJUUFI-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 1508.183°C at 760 mmHg (Cal.)
• Flash point: 865.917°C (Cal.)