Carbetocin

CAS: 37025-55-1

Ref. TR-C175925

Product Information

• Name: Carbetocin
• Synonyms: Glycinamide, N-(4-mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-, cyclic (1→5)-thioether, 1-Carbaoxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)- (9CI), 1-Thia-4,7,10,13,16-pentaazacycloeicosane, cyclic peptide deriv., Deamino-2-O-methyltyrosine-1-carbaoxytocin, Depotocin, Duratocin, Pabal, [2-O-Methyltyrosine]-deamino-1-carba-oxytocin
• Brand: TRC
• Description: Applications An obstetric drug used to control postpartum hemorrhaging.References Sanz-Nebot, V., et al.: Anal. Bioanal. Chem., 377, 306 (2003), Gimpl, G., et al.: Eur. J. Pharmacol., 510, 9 (2005), Handler, J., et al.: Theriogenol., 66, 1397 (2006), Klenerova, V., et al.: J. Physiol. Pharmacol., 60, 57 (2009),

Chemical properties

• Molecular weight: 988.16
• Formula: C₄₅H₆₉N₁₁O₁₂S
• Color/Form: Neat
• InChI: InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
• InChI key: InChIKey=NSTRIRCPWQHTIA-DTRKZRJBSA-N
• SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O