90779-69-4;914453-95-5 Atosiban Atosiban

Synonyms：Atosiban [USAN:INN]; Atosiban (cGMP); Rwj 22164; 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin; 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin; Atosibanum; Atosibanum [INN-Latin]; ORF 22164; Tractocile; UNII-081D12SI0Z; Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-; 1-({(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-ornithylglycinamide; Atosiban Acetate
CAS Number：90779-69-4;914453-95-5
Molecular Formula：C₄₃H₆₇N₁₁O₁₂S₂
Molecular Weight：994.1886
InChI：InChI=1/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36?/m0/s1
Molecular Structure：
Density：1.254g/cm³
Boiling point：1469°C at 760 mmHg
Refractive index：1.549
Flash point：842.2°C
Vapour Pressur：0mmHg at 25°C
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