Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01310)
Name
Oxytocin
Synonyms    Click to Show/Hide the Synonyms of This API
OXYTOCIN; 50-56-6; Pitocin; Ocytocin; Syntocinon; Endopituitrina; Orasthin; Oxitocina; Oxytocine; Oxytocinum; Oxytocin acetate; alpha-Hypophamine; (1-Hemicystine)oxytocin; Piton S; 3-Isoleucine-8-leucine vasopressin; UNII-1JQS135EYN; Oxytocic hormone; 1JQS135EYN; CHEBI:7872; CHEMBL395429; MFCD00076731; Oxystin; Partocon; Synthetic oxytocin; OXT; Ocytocinum; Ossitocina; Syntocinone; Oxetakain; Oxoject; Oxtocin; Presoxin; Synpitan; Syntocin; Utedrin; Uteracon; Di-sipidin; Nobitocin S; Atonin O; [3H]oxytocin; Oxetakain [Czech]; 1-({(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-leucylglycinamide; L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucylglycinamide cyclic (1-->6)-disulfide; L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucylglycinamide cyclic(1-6)-disulfide; Ossitocina [DCIT]; OXYTOCIN 5 USP UNITS IN DEXTROSE 5%; OXYTOCIN 10 USP UNITS IN DEXTROSE 5%; OXYTOCIN 20 USP UNITS IN DEXTROSE 5%; Oxytocine [INN-French]; Oxytocinum [INN-Latin]; Oxitocina [INN-Spanish]; Posterior pituitary extract; [3H]OT (human, mouse, rat); HSDB 2182; Oxytocin [USP:INN:BAN:JAN]; Syntocinon (TN); Oxytocin (TN); Oxytocin,(S); (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide; C43H66N12O12S2; EINECS 200-048-4; Pitocin (TN); BRN 3586108; Vasopressin, 3-L-isoleucine-8-L-leucine-; SCHEMBL29048; Oxytocin (JP17/USP/INN); GTPL2174; GTPL2176; DTXSID8048361; BCBcMAP01_000094; TTA-121; A-HYPOPHAMINEOXYTOCICHORMONE; AMY25364; Cys-Tyr-Ile-Gln-Asn-Cys-Pro-Leu-Gly-NH2, cyclic 1-6 disulfide; BDBM50205990; TI-001; AKOS015994657; HS-2021; NCGC00167132-01; AC-28730; L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucylglycinamide cyclic (1-6)-disulfide; AB0007936; 6369-EP2272841A1; 6369-EP2292621A1; 6369-EP2301936A1; 6369-EP2308479A2; 6369-EP2311811A1; C00746; D00089; 076O731; Q169960; SR-01000945111; SR-01000945111-1; W-105951; Oxytocin, European Pharmacopoeia (EP) Reference Standard; Oxytocin, United States Pharmacopeia (USP) Reference Standard; Oxytocin-(leucine-5,5,5-d3, glycine-2,2-d2) trifluoroacetate salt; Oxytocin, lyophilized powder, ~15 IU/mg solid (Prepared from synthetic oxytocin); Otx
Clinical Status
Approved
PubChem CID
439302
Formula
C43H66N12O12S2
Canonical SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
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
InChIKey
XNOPRXBHLZRZKH-DSZYJQQASA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=439302"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 1007.2 Topological Polar Surface Area 450
XlogP -2.6 Complexity 1870
Heavy Atom Count 69 Rotatable Bond Count 17
Hydrogen Bond Donor Count 12 Hydrogen Bond Acceptor Count 15
Full List of Drug Formulations (DFMs) Containing This API
          Oxytocin 10usp units/ml injectable Click to Show/Hide the Full List of Formulation(s):          2 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Chlorobutanol; Acetic Acid
                   Dosage Form Injectable
                   Company Par Sterile Products
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Acetic acid DIG Info Free fatty acid receptor 3 (EC50 = 12000 nM) [1]
             Drug Formulation 2 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Chlorobutanol, Nf (Hemihydrate)
                   Dosage Form Injectable
                   Company Dr Reddys Laboratories Ltd
References
1 Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside. J Med Chem. 2018 Jan 11; 61(1):47-61.

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