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Oxytocin

CAT: 0013-GTR19168716-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168716-02Size:10 mg
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Description
Oxytocin (Syntocinon) is a hypothalamic peptide hormone that acts on the oxytocin receptor to induce uterine contractions during labor and stimulate milk ejection. It is widely used in research on parturition, lactation, and social bonding, employing both in vitro receptor studies and in vivo behavioral models.
CAS Number
50-56-6
Product Name Alternative
Syntocinon, α-Hypophamine, alpha-Hypophamine, a-Hypophamine, Oxytocic hormone, Oxytocin, Oxytocin (Syntocinon), Oxytocin Receptor, OxytocinReceptor
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.05% (May vary between batches)
Solubility
Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:100 mg/mL (99.29 mM)
Smiles
CC[C@H] (C) [C@@H]1NC (=O) [C@H] (Cc2ccc (O) cc2) 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) N1CCC[C@H]1C (=O) N[C@@H] (CC (C) C) C (=O) NCC (N) =O
Molecular Formula
C43H66N12O12S2
Molecular Weight
1007.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxytocin

Oxytocin is a cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour. It has a role as a vasodilator agent and an oxytocic. It is a heterodetic cyclic peptide and a peptide hormone.

CAS Number50-56-6
PubChem CID439302
IUPAC Name(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-pentaoxo-1,2-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
Molecular FormulaC43H66N12O12S2
Molecular Weight1007.2
XLogP-2.6
Topological Polar Surface Area450
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Heavy Atom Count69
Formal Charge0
Complexity1870
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
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
Chemical Structure
2D Structure
2D structure of Oxytocin
CAS: 50-56-6
CID: 439302
Formula: C43H66N12O12S2
MW: 1007.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1007.2
XLogP3-2.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Exact Mass1006.43645793
Monoisotopic Mass1006.43645793
Topological Polar Surface Area450 Ų
Heavy Atom Count69
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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