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Substance Name: Atn 10
RN: 134837-80-2
InChIKey: AWJDXUJNVVDSHH-HWSZLPHESA-K

Note

  • Indium-labeled form used for tumor imaging.

Molecular Formula

  • C50-H56-Mn-N7-O17.6H

Molecular Weight

  • 1088.0098
 
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Names and Synonyms

Name of Substance

  • Atn 10

Synonyms

  • (OC-6-24)-Aqua(7-(15-carboxy-8,11,14-tris(carboxymethyl)-1-methyl-6-oxo-2,5-dioxa-8,11,14-triazapentadec-1-yl)-12-ethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(7-)-N21,N22,N23,N24)hydroxymanganate(6-) hexahydrogen
  • 111In-Atn-10
  • Atn-10

Systematic Name

  • Manganate(6-), aqua(7-(15-carboxy-8,11,14-tris(carboxymethyl)-1-methyl-6-oxo-2,5-dioxa-8,11,14-triazapentadec-1-yl)-12-ethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(7-)-N21,N22,N23,N24)hydroxy-, hexahydrogen, (OC-6-24)-

Registry Numbers

CAS Registry Number

  • 134837-80-2

System Generated Number

  • 0134837802

Molecular Formulas

Molecular Formula

  • C50-H56-Mn-N7-O17.6H

Molecular Formula Fragments

  • C50-H56-Mn-N7-O17
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C50H61N7O15.Mn.2H2O/c1-7-32-27(2)35-18-36-28(3)33(8-10-43(58)59)40(52-36)21-41-34(9-11-44(60)61)29(4)37(53-41)20-42-50(30(5)38(54-42)19-39(32)51-35)31(6)71-16-17-72-49(70)26-57(25-48(68)69)15-13-55(22-45(62)63)12-14-56(23-46(64)65)24-47(66)67;;;/h7,18-21,31H,1,8-17,22-26H2,2-6H3,(H8,51,52,53,54,58,59,60,61,62,63,64,65,66,67,68,69);;2*1H2/q;+3;;/p-3/b35-18-,36-18-,37-20-,38-19-,39-19-,40-21-,41-21-,42-20-;;;

InChIKey

AWJDXUJNVVDSHH-HWSZLPHESA-K

Smiles

[H+].[H+].[H+].[H+].[H+].[H+].Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)[O-])\[n-]2)C(=C5C)CCC(=O)[O-])C)C=C)/C(=C3C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C.O.[OH-].[Mn+3]