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CAS 113-78-0

:

demoxytocin

Description:
Demoxytocin, with the CAS number 113-78-0, is a synthetic analog of the naturally occurring hormone oxytocin. It is primarily characterized by its structural modifications that enhance its stability and biological activity. Demoxytocin exhibits similar physiological effects to oxytocin, including roles in social bonding, reproductive functions, and lactation. This compound is often utilized in research and clinical settings to study its effects on behavior and physiology. Chemically, demoxytocin is a peptide, consisting of a sequence of amino acids that contribute to its biological function. Its stability allows for prolonged activity in the body compared to its natural counterpart. Additionally, demoxytocin may have applications in various therapeutic areas, including obstetrics and gynecology, due to its ability to induce uterine contractions. However, as with any synthetic hormone, careful consideration of dosage and potential side effects is essential in its application. Overall, demoxytocin serves as an important tool in both scientific research and potential clinical therapies.
Formula:C43H65N11O12S2
InChI:InChI=1/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
SMILES:CC[C@H](C)[C@H]1C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CSSCCC(=N[C@@H](Cc2ccc(cc2)O)C(=N1)O)O)C(=O)N1CCC[C@H]1C(=N[C@@H](CC(C)C)C(=NCC(=N)O)O)O)O)O)O
Synonyms:
  • Deaminooxytocine
  • 1-{[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-(Butan-2-Yl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaoxo-1,2-Dithia-5,8,11,14,17-Pentaazacycloicosan-4-Yl]Carbonyl}Prolylleucylglycinamide
  • 1-{[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide
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