desmopressin   Click here for help

GtoPdb Ligand ID: 2182

Synonyms: 1-deamino,D-AVP | [deamino-Cys1,D-Arg8]vasopressin | dDAVP | Noctiva®
Approved drug
desmopressin is an approved drug (FDA (1978))
Comment: Synthetic analogue of AVP. As is the case with many peptide molecules, there is ambiguity in the stereochemistry of the chemical structure of desmopressin. The structure shown here does not specify stereochemistry and so may vary from the representations shown on other resources linked to from the table above. PubChem also includes the following structures for desmopressin: (CID 16051933 and CID 5311065).
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O
Isomeric SMILES NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)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)
InChI Key NFLWUMRGJYTJIN-UHFFFAOYSA-N
Classification Click here for help
Compound class Peptide or derivative
Approved drug? Yes (FDA (1978))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
3799 desmopressin
Synonyms Click here for help
1-deamino,D-AVP | [deamino-Cys1,D-Arg8]vasopressin | dDAVP | Noctiva®
Database Links Click here for help
CAS Registry No. 16679-58-6 (source: Scifinder)
ChEBI CHEBI:4450
ChEMBL Ligand CHEMBL264448
DrugBank Ligand DB00035
GtoPdb PubChem SID 135652102
PubChem CID 27991
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Wikipedia Desmopressin