CAS Number
Molecular Formula
C58H66N10O9
Product format
Neat
Molecular Weight
1047.23
API Family
Synonyms
Pasireotide; 396091-73-9; SOM-230; SOM 230; SOM230; pasireotida; pasireotidum; CHEBI:72312; 98H1T17066; Cyclo((4R)-4-(2-aminoethylcarbamoyloxy)-L-prolyl-L-phenylglycyl-D-tryptophyl-L-lysyl-4-O-benzyl-L-tyrosyl-L-phenylalanyl-); cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-aminoethyl)carbamoyl]oxy}-L-prolyl]; DTXSID501026040; ((3S, 6S, 9S, 12R, 15S, 18S, 20R)-9-(4-aminobutyl)-12-(1H-indol-3-ylmethyl)-2, 5, 8, 11, 14, 17-hexaoxo-15-phenyl-6-((4-(phenylmethoxy)phenyl)methyl)-3-(phenylmethyl)-1, 4, 7, 10, 13, 16-hexazabicyclo(16.3.0)henicosan-20-yl) N-(2-aminoethyl)carbamate; [(3S, 6S, 9S, 12R, 15S, 18S, 20R)-9-(4-aminobutyl)-12-(1H-indol-3-ylmethyl)-2, 5, 8, 11, 14, 17-hexaoxo-15-phenyl-6-[[4-(phenylmethoxy)phenyl]methyl]-3-(phenylmethyl)-1, 4, 7, 10, 13 and 16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate; cyclo((2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-(((2-aminoethyl)carbamoyl)oxy)-L-prolyl); RefChem:57495; H01CB05; DTXCID201510773; Pasireotide free base; Pasireotide [USAN:INN]
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 and 16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
InChI
InChI=1S/C58H66N10O9/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/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)/t43-,46+,47+,48-,49+,50+,51+/m1/s1
