Barusiban

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.

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CAT#	R2074
CAS	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
M.F/Formula	C40H63N9O8S
M.W/Mr.	830.05

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Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
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