SP9ZNW6WAK
actinium-225;2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Molecular Identity
SP9ZNW6WAK
actinium-225;2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
PubChem CID: 171390016
2D Structure
Properties
C65H87AcN14O19S2-3
Molecular Formula
1657.60
Molecular Weight
g/mol
1656.5946
Exact Mass
Da
557
TPSA
May have limited oral absorption
14
H-Bond Donors
26
H-Bond Acceptors
2690
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
SP9ZNW6WAK225AC-DOTATATEACTINIUM AC 225 DOTATATE [USAN]Actinium Ac-225 Dotatate225AC-OXODOTREOTIDEOXODOTREOTIDE AC-225RYZ101RYZ-101ACTINIUM OXODOTREOTIDE AC-2252864473-30-1Actinate(1-)-225Ac, [N-[2-[4,7,10-tris[(carboxy-kappaO)methyl]-1,4,7,10-tetraazacyclododec-1-yl-kappaN1,kappaN4,kappaN7,kappaN10]acetyl-kappaO]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophanyl-L-lysyl-L-cysteinyl-L-threonine cyclic (2-->7)-disulfidato(4-)]-, hydrogen (1:1)Hydrogen [N-{[4,7,10-tris(carboxylato-kappaO-methyl)-1,4,7,10-tetraazacyclododecan-1-yl-kappa4N1,N4,N7,N10]acetyl-kappaO}-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninato cyclic (2-->7)-disulfide(4-)](225Ac)actinate(1-)
Data from PubChem (NCBI)
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