1.0 2016-05-22 06:30:01 UTC 2026-05-14 16:23:57 UTC Desmopressin SmallMolecule Desmopressin is a compound with the chemical formula C46H64N14O12S2. Desmopressin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,069 g/mol, Desmopressin is a heavy molecule. The compound is found in or released from two recorded sources: antennas, which are classified under electrical and electronic equipment, and posterior pituitary lobe hormones, which are classified under healthcare, pharmaceuticals, and veterinary products. Desmopressin is administered through several recorded exposure routes, including oral, nasal, sublingual, subcutaneous, intravenous, and intramuscular applications. In terms of biological activity, Desmopressin acts as an agonist for four recorded protein targets. These targets include the oxytocin receptor (OXTR) and three vasopressin receptors: the vasopressin V1a receptor (AVPR1A), the vasopressin V1b receptor (AVPR1B), and the vasopressin V2 receptor (AVPR2). C46H64N14O12S2 1069.217 1068.426954962 (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide desmopressin 16679-58-6 NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O 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-/m0/s1 NFLWUMRGJYTJIN-NXBWRCJVSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Arginine and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboximidamides Cyclic peptides Guanidines Hydrocarbon derivatives Imines Lactams Macrolactams N-acyl amines N-acyl-alpha amino acids and derivatives N-acylpyrrolidines Organic disulfides Organic oxides Organopnictogen compounds Primary carboxylic acid amides Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Arginine or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Cyclic alpha peptide Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Imine Lactam Macrolactam Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-acylpyrrolidine N-substituted-alpha-amino acid Organic disulfide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Primary carboxylic acid amide Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds Detected and Not Quantified Desmopressin Action Pathway SMP0124889 Desmopressin Drug Metabolism Action Pathway SMP0142588 logp -6.1 logp -1.04 ALOGPS logs -3.99 ALOGPS solubility 1.10e-01 g/l ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 11.77 ChemAxon iupac (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-5-carbamimidamido-N-(carbamoylmethyl)pentanamide ChemAxon average_mass 1069.217 ChemAxon mono_mass 1068.426954962 ChemAxon smiles NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O ChemAxon formula C46H64N14O12S2 ChemAxon 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-/m0/s1 ChemAxon inchikey NFLWUMRGJYTJIN-NXBWRCJVSA-N ChemAxon polar_surface_area 435.41 ChemAxon refractivity 279.78 ChemAxon polarizability 106.19 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 15 ChemAxon donor_count 14 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227e64740> DB00035 27991 26037 BE0000165 BE0000773 BE0000293 BE0000844