API | octreotide

octreotide (sandostatin) Report issue

Biologics Peptide Approved ^FDA Priority Review ^FDA

AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

1019.239

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIKey: DEQANNDTNATYII-OULOTJBUSA-N
1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL1200480 ChEMBL
octreotide acetate

CHEMBL1680 ChEMBL
octreotide

CHEMBL2105834 ChEMBL
octreotide pamoate

RWM8CCW8GP NCATS
octreotide *

Octreotide Wikipedia

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