ABC05500JE

[GLU4] CARBETOCIN

On Request

Molecular Formula C₄₅H₆₈N₁₀O₁₃S

Molecular Weight 989.1000

CAS Number 69228-04-2

PubChem CID 175674754 ↗

Purity N/A

Product Type API Impurity

Parent Drug CARBETOCIN

Lead Time 3-4 Weeks

IUPAC Name 3-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-3-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-9-yl)propanoic acid

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📝 Synonyms

69228-04-2 3-((3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-3-((S)-2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-9-yl)propanoic acid Glu4-Carbetocin Carbetocin Impurity 9(Glu4) [Glu4]Carbetocin X TFA Salt H64544

🔬 Chemical Identifiers

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)O

InChI

InChI=1S/C45H68N10O13S/c1-6-25(4)38-44(66)50-28(15-16-37(59)60)40(62)51-31(21-34(46)56)41(63)53-32(23-69-18-8-10-36(58)49-30(42(64)54-38)20-26-11-13-27(68-5)14-12-26)45(67)55-17-7-9-33(55)43(65)52-29(19-24(2)3)39(61)48-22-35(47)57/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,56)(H2,47,57)(H,48,61)(H,49,58)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)(H,59,60)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1

InChIKey IQQYFLYEQYSQIG-DTRKZRJBSA-N

📝 Synonyms

🔬 Chemical Identifiers

Related Compounds