Factor F 430

CAS Registry Number®

73145-13-8

CAS Name

Factor F 430

Molecular Formula

C42H46N6NiO13.5H

Cite this Page

Factor F 430.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73145-13-8 (retrieved 2024-11-24) (CAS RN: 73145-13-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1

InChIKey

InChIKey=XLFIRMYGVLUNOY-UHFFFAOYSA-M

SMILES

CC12C3([N]=4[Ni+2]56[N]7=C8C(=C9[N-]5C(=CC4C1CCC([O-])=O)C(CC([O-])=O)C9CCC([O-])=O)C(=O)CCC8C(CC([O-])=O)C7CC%10=[N]6C(C3)C(CCC([O-])=O)C%10(CC(N)=O)C)NC(=O)C2.[H+]

Canonical SMILES

[H+].O=C([O-])CCC1C2=C3C(=O)CCC4C3=[N]5C(CC6=[N]7C(CC89NC(=O)CC9(C)C(C=%10C=C([N-]2[Ni+2]57[N]%108)C1CC(=O)[O-])CCC(=O)[O-])C(CCC(=O)[O-])C6(C)CC(=O)N)C4CC(=O)[O-]

Other Names for this Substance

  • Nickelate(4-), [(3aS,4S,8S,9S,14S,16R,19S,20S,21S,22aR,25S)-19-(2-amino-2-oxoethyl)-8,25-bis(carboxymethyl)-2,3,3a,4,8,9,11,12,13,14,16,17,19,20,21,22-hexadecahydro-3a,19-dimethyl-2,11-dioxo-1H-7,10-imino-14,16-methano-21,18:22a,5-dinitrilopyrrolo[2,3-i][1]benzazacyclononadecine-4,9,20-tripropanoato(6-)-κN15,κN23,κN24,κN26]-, hydrogen (1:5), (SP-4-2)-
  • Nickelate(4-), [19-(2-amino-2-oxoethyl)-8,25-bis(carboxymethyl)-2,3,3a,4,8,9,11,12,13,14,16,17,19,20,21,22-hexadecahydro-3a,19-dimethyl-2,11-dioxo-1H-7,10-imino-14,16-methano-21,18:22a,5-dinitrilopyrrolo[2,3-i][1]benzazacyclononadecine-4,9,20-tripropanoato(6-)-κN15,κN23,κN24,κN26]-, pentahydrogen, [SP-4-2-[3aS-(3aR*,4R*,8R*,9R*,14R*,16S*,19R*,20R*,21R*,22aS*,25R*)]]-
  • Nickelate(4-), [(3aS,4S,8S,9S,14S,16R,19S,20S,21S,22aR,25S)-19-(2-amino-2-oxoethyl)-8,25-bis(carboxymethyl)-2,3,3a,4,8,9,11,12,13,14,16,17,19,20,21,22-hexadecahydro-3a,19-dimethyl-2,11-dioxo-1H-7,10-imino-14,16-methano-21,18:22a,5-dinitrilopyrrolo[2,3-i][1]benzazacyclononadecine-4,9,20-tripropanoato(6-)-κN15,κN23,κN24,κN26]-, pentahydrogen, (SP-4-2)-
  • 1H-7,10-Imino-14,16-methano-21,18:22a,5-dinitrilopyrrolo[2,3-i][1]benzazacyclononadecine-4,9,20-tripropanoic acid, 19-(2-amino-2-oxoethyl)-8,25-bis(carboxymethyl)-2,3,3a,4,8,9,11,12,13,14,16,17,19,20,21,22-hexadecahydro-3a,19-dimethyl-2,11-dioxo-, nickel complex, stereoisomer
  • 1H-7,10-Imino-14,16-methano-21,18:22a,5-dinitrilopyrrolo[2,3-i][1]benzazacyclononadecine, nickelate(4-) deriv.

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Deleted or Replaced CAS Registry Numbers

99354-84-4, 89550-54-9, 93984-11-3

CAS INSIGHTSTM
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