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Cargutocin

Cargutocin is a synthetic oxytocin analogue predominantly used in the biomedical industry as a labor-inducing agent during childbirth. It helps stimulate uterine contractions, thereby easing delivery.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.

CAT No: R1976

CAS No:33605-67-3

Chemical Name:(2S,5S,8S,11S,14S)-11-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-8-(3-amino-3-oxopropyl)-5-[(2S)-butan-2-yl]-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carboxamide

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  • CMC information required for an IND
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  • Drug master files (DMF) filing
M.F/Formula
C42H65N11O12
M.W/Mr.
916.03
InChI
InChI=1S/C42H65N11O12/c1-5-23(4)36-42(65)51-27(15-16-31(43)55)39(62)52-30(19-32(44)56)40(63)50-26(37(60)47-21-35(59)49-28(17-22(2)3)38(61)46-20-33(45)57)9-7-6-8-10-34(58)48-29(41(64)53-36)18-24-11-13-25(54)14-12-24/h11-14,22-23,26-30,36,54H,5-10,15-21H2,1-4H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,61)(H,47,60)(H,48,58)(H,49,59)(H,50,63)(H,51,65)(H,52,62)(H,53,64)/t23-,26-,27-,28-,29-,30-,36-/m0/s1
InChI Key
YHKWDHMRGAMOKU-DACMYBEBSA-N
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CCCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

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