Lutetium texaphyrin

CAS Registry Number®

246252-04-0
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CAS Name

Lutetium texaphyrin

Molecular Formula

C52H72LuN5O14

Cite this Page

Lutetium texaphyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=246252-04-0 (retrieved 2024-04-25) (CAS RN: 246252-04-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27?,42-28?,45-31-,46-32-,49-31?,49-43+,50-32?,50-44+;;;

InChIKey

InChIKey=ZCISRIHHEXSWIR-WWENWXKTSA-L

SMILES

[O-](C(C)=O)[Lu+3]1234([O-]C(C)=O)[N-]5C=6C=C7[N]1=C(C=[N]2C=8C([N]3=CC9=[N]4C(=CC5=C(CC)C6CC)C(CCCO)=C9C)=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C8)C(C)=C7CCCO

Canonical SMILES

O=C([O-][Lu+3]1234([O-]C(=O)C)[N]5=CC=6C(=C(C(=CC7=C(C(=C(C=C8C(=C(C(C=[N]1C=9C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=CC95)=[N]82)C)CCCO)[N-]73)CC)CC)[N]64)CCCO)C)C

Other Names for this Substance

  • Lutetium, bis(acetato-κO)[9,10-diethyl-20,21-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,15-dimethyl-8,11-imino-3,6:16,13-dinitrilo-1,18-benzodiazacycloeicosine-5,14-dipropanolato-κN1,κN18,κN23,κN24,κN25]-, (PB-7-11-233′2′4)-
  • (PB-7-11-233′2′4)-Bis(acetato-κO)[9,10-diethyl-20,21-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,15-dimethyl-8,11-imino-3,6:16,13-dinitrilo-1,18-benzodiazacycloeicosine-5,14-dipropanolato-κN1,κN18,κN23,κN24,κN25]lutetium
  • Antrin
  • Lutetium texaphyrin
  • Lutrin

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