| Identification | |
| Name: | Atosiban |
| Synonyms: | Oxytocin,1-(3-mercaptopropanoicacid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-;Antocile;Antocin;Antocin II;CAP 449;CAP 476;CAP 581;F 314;ORF 22164;RW22164;RWJ 22164;Tractocil;Tractocile;Atosiban Acetate; |
| CAS: | 90779-69-4 |
| Molecular Formula: | C43H67N12O38S2 |
| Molecular Weight: | 994.18858 |
| InChI: | InChI=1S/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: |  |
| Properties | |
| Density: | 1.254 g/cm3 |
| Refractive index: | 1.549 |
| Appearance: | solid |
| Specification: |
?Atosiban , its CAS NO. is 90779-69-4, the synonyms are 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin ; 1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin ; (2S)-N-[(1S)-4-Amino-1-(carbamoylmethylcarbamoyl)butyl]-1-[(4S,7S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide . |
| Safety Data | |
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