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Substance Name: LiLo
RN: 134439-56-8
InChIKey: OWFPZFPOOSUIIA-UHFFFAOYSA-N

Note

  • Chelating agent for attaching indium-111 to monoclonal antibodies.

Molecular Formula

  • C39-H57-N9-O18-S

Molecular Weight

  • 971.99
 
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Names and Synonyms

Results Name

  • Lilo

Name of Substance

  • 1,3-Bis(N-(N-(2-aminoethyl)-2-aminoethyl)-2-aminoacetamido)-2-(4-isothiocyanatobenzyl)propane-N,N,N',N'',N''',N'''',N''''',N'''''-octaaceticacid

Synonym

  • 3,6,9,19,22,25-Hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-3,6,9,12,16,19,22,25-octaazaheptacosanedioic acid

Systematic Name

  • 3,6,9,12,16,19,22,25-Octaazaheptacosanedioic acid, 3,6,9,19,22,25-hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-

Registry Numbers

CAS Registry Number

  • 134439-56-8

System Generated Number

  • 0134439568

Structure Descriptors

InChI

1S/C39H57N9O18S/c49-30(16-45(20-34(55)56)9-5-43(18-32(51)52)7-11-47(22-36(59)60)23-37(61)62)40-14-28(13-27-1-3-29(4-2-27)42-26-67)15-41-31(50)17-46(21-35(57)58)10-6-44(19-33(53)54)8-12-48(24-38(63)64)25-39(65)66/h1-4,28H,5-25H2,(H,40,49)(H,41,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)

InChIKey

OWFPZFPOOSUIIA-UHFFFAOYSA-N

Smiles

C(CN(CC[N@@](CC[N@@](CC(NCC(CNC(C[N@@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)=O)Cc1ccc(cc1)N=C=S)=O)CC(=O)O)CC(=O)O)CC(=O)O)(=O)O