Oxytocin Acetate

Basic Information

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CAS Number

6233-83-6

Molecular Formula

C45H70N12O14S2

Molecular Weight

1067.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)O.CC[C@@H](C1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C

InChI

InChI=1S/C43H66N12O12S2.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35?;/m0./s1

InChIKey

DSZOEVVLZMNAEH-MUOBJISASA-N

LogP

-3.5177000000000103

Topological Polar Surface Area

436.82999999999987 Å²

Hydrogen Bond Donor/Acceptor

17 / 26

Synonyms & References

English

Oxytocin
Oxytocin, monoacetate (salt)
Oxytocin Acetate
Oxytocic hormone acetate
α-Hypophamine acetate
(S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((S)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
acetic acid (1:1)

MDL Number

MFCD11046045

FAQ

What regulatory guidelines apply to Oxytocin Acetate (CAS: 6233-83-6)?

Oxytocin Acetate (CAS: 6233-83-6) falls under the regulatory oversight of various organizations. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals). In the United States, it is regulated by the FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) for pharmaceutical and industrial uses. Additionally, it must adhere to GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for proper hazard communication and material safety data sheets (MSDS).

Are there alternatives to Oxytocin Acetate (CAS: 6233-83-6) in synthesis?

In the synthesis of oxytocin acetate (CAS: 6233-83-6), several alternatives can be considered. Analogues such as oxytocin ethyl ester and arginine vasopressin can be used as alternatives. Common alternative reagents include acetic anhydride for esterification reactions. Isomers of oxytocin can also serve as useful intermediates in the synthesis process.

What is the market or research trend for Oxytocin Acetate (CAS: 6233-83-6)?

The market for oxytocin acetate (CAS: 6233-83-6) is steadily growing, driven by increasing research into its therapeutic applications. Recent trends indicate a rise in the use of oxytocin acetate in veterinary medicine and pharmaceuticals. Research is also exploring its potential in treating stress and anxiety disorders. The demand is expected to continue due to its versatile use and expanding applications in different industries.

How should waste containing Oxytocin Acetate (CAS: 6233-83-6) be handled?

Waste containing oxytocin acetate (CAS: 6233-83-6) should be handled by first collecting it in appropriate containers, ensuring proper labeling and containment to prevent spills. For disposal, professional waste disposal services should be utilized. Incineration is a common method for chemical waste disposal, but it must be done in an approved facility. Environmental precautions include ensuring that waste is not released into the environment, and following local and national waste management regulations.