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Substance Name: ATX 70
RN: 135099-39-7
InChIKey: WPEFUMGLIZEXIR-WFCPOLLMSA-K

Note

  • A gallium-porphyrin complex.

Molecular Formula

  • C62-H82-Ga-N6-O12.3H

Molecular Weight

  • 1176.11
 
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Names and Synonyms

Name of Substance

  • ATX 70

Synonyms

  • 2,4-Bis(1-decyloxyethyl)-Ga(III)-1,3,5,8-tetramethylporphyrin-6,7-dipropionyl diaspartic acid
  • Atx-70

Systematic Name

  • Gallate(3-), ((N,N'-((7,12-bis(1-(decyloxy)ethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-diyl)bis(1-oxo-3,1-Propanediyl))bis(L-aspartato))(6-)-N21,N22,N23,N24)-, trihydrogen, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 135099-39-7

System Generated Number

  • 0135099397

Molecular Formulas

Molecular Formula

  • C62-H82-Ga-N6-O12.3H

Molecular Formula Fragments

  • C62-H82-Ga-N6-O12
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C62H88N6O12.Ga/c1-9-11-13-15-17-19-21-23-29-79-41(7)59-39(5)47-31-45-37(3)43(25-27-55(69)67-53(61(75)76)35-57(71)72)49(63-45)34-50-44(26-28-56(70)68-54(62(77)78)36-58(73)74)38(4)46(64-50)32-51-60(40(6)48(66-51)33-52(59)65-47)42(8)80-30-24-22-20-18-16-14-12-10-2;/h31-34,41-42,53-54H,9-30,35-36H2,1-8H3,(H8,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78);/q;+3/p-3/b45-31-,46-32-,47-31-,48-33-,49-34-,50-34-,51-32-,52-33-;

InChIKey

WPEFUMGLIZEXIR-WFCPOLLMSA-K

Smiles

[Ga+3].O([C@@H](C=1c2cc3c(c(c([n-]3)cc3C(=C(c(n3)cc3[n-]c(cc(C1C)n2)c(c3C)[C@@H](OCCCCCCCCCC)C)C)CCC(N[C@@H](C(=O)[O-])CC(=O)[O-])=O)CCC(=O)N[C@@H](C(=O)[O-])CC([O-])=O)C)C)CCCCCCCCCC