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Barusiban, renowned for its selective and potent qualities, possesses the intriguing ability to act as an oxytocin receptor antagonist, rendering it a remarkable candidate within the biomedical realm. This exceptional substance finds its purpose in combating preterm labor and uterine hyperactivity, where it diligently undertakes the role of inhibiting uterine contractions. By skillfully delaying or even evading the occurrence of premature birth, Barusiban exhibits its profound impact on reproductive health.
CAT No:R2074
CAS No:285571-64-4
Chemical Name:(4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
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M.F/Formula | C40H63N9O8S |
M.W/Mr. | 830.05 |
InChI | InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1 |
InChI Key | UGNGRKKDUVKQDF-IHOMMZCZSA-N |
Canonical SMILES | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CCSCCC(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)C(CCCN)CO)CC(=O)N)C(C)CC |
Isomeric SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)[C@@H](CCCN)CO)CC(=O)N)[C@H](C)CC |
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