1.0 2016-05-25 18:14:35 UTC 2026-04-13 20:28:21 UTC Oxytocin SmallMolecule Oxytocin (C43H66N12O12S2) is a compound with an average molecular weight of 1,007 g/mol. With an average molecular weight of 1,007 g/mol, Oxytocin is a heavy molecule. Oxytocin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. The compound is found in or released from 17 recorded sources. These include healthcare, pharmaceuticals, and veterinary products such as gynecologicals and posterior pituitary lobe hormones. It is also associated with food, food processing, and cookware, specifically food preservation, the preparation of vinegar, and fermentation processes for beer. Other recorded sources include building and construction materials like ceilings, as well as household cleaning and consumer products such as tobacco smoke filters, tobacco product cases, perfumes within detergents and soaps, and non electric simulated smoking devices. Additionally, it is linked to electrical and electronic equipment, including electrodes, fixed capacitors and their manufacture, discharge lamps, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes for oxytocin include intramuscular, intravascular, intravenous, and topical administration. In terms of biological activity, the compound acts on four recorded protein targets. It serves as an agonist of the oxytocin receptor (OXTR) as well as the vasopressin V1a receptor (AVPR1A), vasopressin V1b receptor (AVPR1B), and vasopressin V2 receptor (AVPR2). C43H66N12O12S2 1007.187 1006.436457016 (2S)-2-({1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-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)-N-(carbamoylmethyl)-4-methylpentanamide (2S)-2-({1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-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)-N-(carbamoylmethyl)-4-methylpentanamide 50-56-6 CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31?,35-/m0/s1 XNOPRXBHLZRZKH-MQYCRUOZSA-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 Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Cyclic peptides Hydrocarbon derivatives Lactams Leucine and derivatives Macrolactams Monoalkylamines 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 Amine Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Fatty acyl Fatty amide Hydrocarbon derivative Lactam Leucine or derivatives 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 aliphatic amine Primary amine 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 logp -0.69 ALOGPS logs -4.26 ALOGPS solubility 5.50e-02 g/l ALOGPS logp -5 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 7.65 ChemAxon iupac (2S)-2-({1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-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)-N-(carbamoylmethyl)-4-methylpentanamide ChemAxon average_mass 1007.187 ChemAxon mono_mass 1006.436457016 ChemAxon smiles CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ChemAxon formula C43H66N12O12S2 ChemAxon inchi InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31?,35-/m0/s1 ChemAxon inchikey XNOPRXBHLZRZKH-MQYCRUOZSA-N ChemAxon polar_surface_area 399.53 ChemAxon refractivity 252.11 ChemAxon polarizability 102.58 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 13 ChemAxon donor_count 12 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7266feaaa8> DB00107 5771 388434 BE0000844 BE0000165 BE0000773 BE0000293