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CHEBI:4450 - desmopressin
| Formula | C46H64N14O12S2 |
| Net Charge | 0 |
| Average Mass | 1069.238 |
| Monoisotopic Mass | 1068.42696 |
| SMILES | N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |
| InChI | InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1 |
| InChIKey | NFLWUMRGJYTJIN-PNIOQBSNSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. vasopressin receptor agonist Any drug which binds to vasopressin receptors and triggers a response. |
| Applications: | renal agent A drug used for its effect on the kidneys' regulation of body fluid composition and volume. diagnostic agent A substance administered to aid diagnosis of a disease. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. vasopressin receptor agonist Any drug which binds to vasopressin receptors and triggers a response. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| desmopressin (CHEBI:4450) has role analgesic (CHEBI:35480) |
| desmopressin (CHEBI:4450) has role antihypertensive agent (CHEBI:35674) |
| desmopressin (CHEBI:4450) has role antineoplastic agent (CHEBI:35610) |
| desmopressin (CHEBI:4450) has role diagnostic agent (CHEBI:33295) |
| desmopressin (CHEBI:4450) has role renal agent (CHEBI:35846) |
| desmopressin (CHEBI:4450) has role vasopressin receptor agonist (CHEBI:59727) |
| desmopressin (CHEBI:4450) is a heterodetic cyclic peptide (CHEBI:24533) |
| Incoming Relation(s) |
| desmopressin acetate (anhydrous) (CHEBI:59726) has part desmopressin (CHEBI:4450) |
| IUPAC Name |
|---|
| 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide |
| INNs | Source |
|---|---|
| desmopresina | ChemIDplus |
| desmopressin | ChemIDplus |
| desmopressine | ChemIDplus |
| desmopressinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin | ChEBI |
| 1-deamino-8-D-arginine vasopressin | ChemIDplus |
| 1-desamino-8-D-arginine vasopressin | ChemIDplus |
| DDAVP | DrugBank |
| H01BA02 | ChEMBL |
| Ser-120 | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4651966 | Beilstein |
| CAS:16679-58-6 | KEGG COMPOUND |
| CAS:16679-58-6 | ChemIDplus |
| Citations |
|---|