octreotide

chemical compound

Wikidata entity: Q419935

C₄₉H₆₆N₁₀O₁₀S₂ (P274)

Quantities

P4250defined daily dose0.7
P2067mass1018.44048

P3780 active ingredient in ... Q47521925 (Sandostatin) Sandostatin
P233 canonical SMILES String CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O ???
P1889 different from ... Q27088142 (10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide) 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
P1889 different from ... Q63413189 ((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxy-2-butanyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide) (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxy-2-butanyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
P366 has use ... Q12140 (medication) medication
P8224 image of molecular model or crystal lattice model CommonsMedia http://commons.wikimedia.org/wiki/Special:FilePath/Octreotide3d.png ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String 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 ???
P8026 LiverTox likelihood score ... Q83284310 (LiverTox toxicity likelihood category C) LiverTox toxicity likelihood category C
P1987 MCN code String 3003.39.25 ???
P1987 MCN code String 3004.39.26 ???
P2175 medical condition treated ... Q189580 (acromegaly) acromegaly
P2175 medical condition treated ... Q212961 (pancreatic cancer) pancreatic cancer
P2175 medical condition treated ... Q339547 (carcinoid syndrome) carcinoid syndrome
P2175 medical condition treated ... Q1734755 (carcinoid tumor) carcinoid tumor
P2175 medical condition treated ... Q18554913 (neuroendocrine carcinoma) neuroendocrine carcinoma
P2175 medical condition treated ... Q18556544 (pituitary carcinoma) pituitary carcinoma
P2175 medical condition treated ... Q18557172 (follicular adenoma) follicular adenoma
P1748 NCI Thesaurus ID String C711 ???
P3489 pregnancy category ... Q3679261 (Australian pregnancy category C) Australian pregnancy category C
P3489 pregnancy category ... Q28123616 (US pregnancy category B) US pregnancy category B
P9989 stylized name String SandoSTATIN ???
P279 subclass of ... Q63413189 ((4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxy-2-butanyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide) (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxy-2-butanyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-(D-phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
P279 subclass of ... Q104631433 (synthetic peptide) synthetic peptide
P2868 subject has role ... Q50377202 (gastrointestinal agent) gastrointestinal agent
P2868 subject has role ... Q50430266 (hormonal antineoplastic agent) hormonal antineoplastic agent
P2275 World Health Organisation international non-proprietary name Monolingualtext octreotide ???
External Ids
P267ATC codeH01CB02
P231CAS Registry Number83150-76-9
P715DrugBank IDDB00104
P8494DSSTOX compound identifierDTXCID6028608
P3117DSSTox substance IDDTXSID0048682
P646Freebase ID/m/04_f23
P12385Gran Enciclopèdia Catalana IDoctreotida
P1296Gran Enciclopèdia Catalana ID (former scheme)0276206
P2057Human Metabolome Database IDHMDB0014262
P234InChIInChI=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
P235InChIKeyDEQANNDTNATYII-OULOTJBUSA-N
P665KEGG IDD00442
P7830LiverTox IDOctreotide
P10245MedlinePlus drug identifiera620051
P10245MedlinePlus drug identifiera693049
P486MeSH descriptor IDD015282
P672MeSH tree codeD04.345.566.650
P672MeSH tree codeD12.644.641.650
P6366Microsoft Academic ID (discontinued)2781025020
P2004NALT ID148788
P2115NDF-RT IDN0000147950
P3222NE.se IDsandostatin
P10283OpenAlex IDC2781025020
P4235PatientsLikeMe treatment IDoctreotide
P11199Probes And Drugs IDPD014663
P662PubChem CID448601
P3345RxNorm CUI7617
P2877SureChEMBL ID10044649
P11089UniChem compound ID531330
P652UNIIRWM8CCW8GP
P11143WikiProjectMed IDOctreotide
P3350World Health Organisation international non-proprietary name numeric ID5656

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