21H,23H-Porphine-5-methanamine, 2,3,7,8,12,13,17,18-octaethyl-N-[3-(1H-imidazol-1-yl)propyl]-

SpectraBase Compound ID	FCF9IE1DXKh
InChI	InChI=1S/C43H57N7/c1-9-27-29(11-3)38-23-40-31(13-5)33(15-7)42(48-40)35(25-44-18-17-20-50-21-19-45-26-50)43-34(16-8)32(14-6)41(49-43)24-39-30(12-4)28(10-2)37(47-39)22-36(27)46-38/h19,21-24,26,44,46,49H,9-18,20,25H2,1-8H3/b36-22-,37-22-,38-23-,39-24-,40-23-,41-24-,42-35-,43-35-
InChIKey	AXPBCODVHYZWMI-ROAXJTIPSA-N Google Search
Mol Weight	672.0 g/mol
Molecular Formula	C43H57N7
Exact Mass	671.467545 g/mol

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SpectraBase Spectrum ID	Em0KXY7zHDH
Name	21H,23H-Porphine-5-methanamine, 2,3,7,8,12,13,17,18-octaethyl-N-[3-(1H-imidazol-1-yl)propyl]-
CAS Registry Number	80063-87-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C43H57N7
InChI	InChI=1S/C43H57N7/c1-9-27-29(11-3)38-23-40-31(13-5)33(15-7)42(48-40)35(25-44-18-17-20-50-21-19-45-26-50)43-34(16-8)32(14-6)41(49-43)24-39-30(12-4)28(10-2)37(47-39)22-36(27)46-38/h19,21-24,26,44,46,49H,9-18,20,25H2,1-8H3/b36-22-,37-22-,38-23-,39-24-,40-23-,41-24-,42-35-,43-35-
InChIKey	AXPBCODVHYZWMI-ROAXJTIPSA-N
Molecular Weight	671.978 g/mol
SMILES	[nH]1c2c(CNCCC[n]3cncc3)c3nc(cc4c(c(c(cc5nc(cc1c(c2CC)CC)c(c5CC)CC)[nH]4)CC)CC)c(c3CC)CC
SPLASH	splash10-0002-0000091000-9d3d99e3baaf8363996c
Source of Spectrum	KC-1981-2629-0
Synonyms	3-(1H-imidazol-1-yl)-N-{[4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]methyl}-1-propanamine meso-(3-imidazol-1-ylpropyl-1-aminomethyl)octaethylporphyrin N-[3-(1H-imidazol-1-yl)propyl]-N-{[4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]methyl}amine
Wiley ID	1413964