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Chemistry

Mol. Mass

1047.2062

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=C(OCC7=CC=CC=C7)C=C6)NC1=O)OC(=O)NCCN)C8=CC=CC=C8
  • InChIKey: VMZMNAABQBOLAK-DBILLSOUSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3039583   ChEMBL
pasireotide

CHEMBL3039588   ChEMBL
pasireotide diaspartate

CHEMBL3545188   ChEMBL
pasireotide pamoate

98H1T17066   NCATS
pasireotide *

Pasireotide   Wikipedia

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