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CHEBI:749258 - octreotide acetate
| Formula | C2H4O2.C49H66N10O10S2 |
| Net Charge | 0 |
| Average Mass | 1079.313 |
| Monoisotopic Mass | 1078.46161 |
| SMILES | CC(=O)O.[H][C@@]1([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O |
| InChI | InChI=1S/C49H66N10O10S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;/m1./s1 |
| InChIKey | XQEJFZYLWPSJOV-XJQYZYIXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | anti-obesity agent Any substance which is used to reduce or control weight. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| octreotide acetate (CHEBI:749258) has role anti-obesity agent (CHEBI:74518) |
| octreotide acetate (CHEBI:749258) has role antineoplastic agent (CHEBI:35610) |
| octreotide acetate (CHEBI:749258) has role laxative (CHEBI:50503) |
| octreotide acetate (CHEBI:749258) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| Octreolin | ChEMBL |
| Octreotide (as acetate) | ChEMBL |
| SMS 201-995 AC | ChEMBL |
| SMS-201-995 AC | ChEMBL |
| SMS-201995-AC | ChEMBL |
| Brand Names | Source |
|---|---|
| Bynfezia pen | ChEMBL |
| Mycapssa | ChEMBL |
| Octreotide acetate (preservative free) | ChEMBL |
| Octreotide acetate preservative free | ChEMBL |
| Sandostatin | ChEMBL |
| Sandostatin lar | ChEMBL |
| Citations |
|---|