50-56-6
Product Name:
Oxytocin
Formula:
C43H66N12O12S2
Synonyms:
α-Hypophamine;Oxytocic hormone
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White powder |
|---|---|
| Melting Point | 192-194 ℃ |
| Solubility | Soluble in water, butanol |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -26.2 DEG @ 22 °C/D (0.53 G/100 ML WATER) |
| Decomposition | When heated to decomposition it emits toxic fumes of /sulfur oxide/ and /nitric oxide/. |
| Hydrophobicity | -2.7 |
| Isoelectric Point | 5.51 |
| Collision Cross Section | 303.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Shows an activity of 450-500 USP units/mg when compared with USP posterior pituitary reference std |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H361:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 1007.2 g/mol |
|---|---|
| XLogP3 | -2.6 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 17 |
| Exact Mass | 1006.43645793 g/mol |
| Monoisotopic Mass | 1006.43645793 g/mol |
| Topological Polar Surface Area | 450 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 an oxytocic and a vasodilator agent. It is a peptide hormone and a heterodetic cyclic peptide.