Oxytocin acetate

Base Information

• Chemical Name: Oxytocin acetate
• CAS No.: 6233-83-6
• Molecular Formula: C2H4O2
• Molecular Weight: 60.05196
• Hs Code.: 2937190000
• European Community (EC) Number: 228-347-5
• ChEMBL ID: CHEMBL3185709
• DSSTox Substance ID: DTXSID1046552
• RXCUI: 1733680
• Mol file: 6233-83-6.mol

Synonyms:Oxytocin acetate;6233-83-6;UNII-4NR672T8NL;EINECS 228-347-5;4NR672T8NL;Oxytocin, monoacetate (salt);DTXSID1046552;6233-83-6 (acetate);DTXCID9026552;(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 acetate;acetic acid;(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;Oxytocin Monoacetate;Orasthin;Ossitocina;a-Hypophamine acetate;NCGC00166145-02;SCHEMBL2126148;CHEMBL3185709;DSZOEVVLZMNAEH-BXUJZNQYSA-N;OXYTOCIN, ACETATE (1:1);Tox21_112339;AKOS030526861;AT13256;CCG-270627;OXYTOCIN IDENTIFICATION (USP-RS);Oxytocin acetate (50-56-6 free base);CAS-6233-83-6;A915765;Q27260257

Chemical Property of Oxytocin acetate

Chemical Property:

• PSA: 487.43000
• LogP: 1.64720
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 17
• Exact Mass: 1066.45758730
• Heavy Atom Count: 73
• Complexity: 1900

Purity/Quality:

99% ^*data from raw suppliers

OxytocinAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.CC(=O)O
• Isomeric 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.CC(=O)O
• Uses: Oxytocin Acetate is the principal uterus-contracting and lactation-stimulating hormone of the posterior pituitary gland. The principal uterus-contracting and lactation-stimulating hormone of the posterior pituitary gland.