Chem
J-GLOBAL ID：200907035877274444   Nikkaji number：J1.439.021I

2,7,12,18-Tetramethyl-3-vinyl-8-ethyl-13-(sodiooxycarbonyl)-21H,23H-porphyrin 15,17-bis(propionic acid sodium) salt

2,7,12,18-テトラメチル-3-ビニル-8-エチル-13-(ソジオオキシカルボニル)-21H,23H-ポルフィリン15,17-ビス(プロピオン酸ナトリウム)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H33N4Na3O6
Molecular formula furigana： C35-H33-N4-NA3-O6
Molecular weight： 674.640
InChI： InChI=1S/C35H36N4O6.3Na/c1-7-20-16(3)24-13-26-18(5)22(9-11-30(40)41)33(38-26)23(10-12-31(42)43)34-32(35(44)45)19(6)27(39-34)15-29-21(8-2)17(4)25(37-29)14-28(20)36-24;;;/h7,13-15,36,39H,1,8-12H2,2-6H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3/b24-13-,25-14-,26-13-,27-15-,28-14-,29-15-,33-23-,34-23-;;;
InChI key： REBSNPKCVIXPRZ-OZARACEPSA-K
SMILES： CCC1=C(C)C2=N/C/1=C\c1[nH]c(/C(=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)C=C)C(=C3CCC(=O)O[Na])C)/CCC(=O)O[Na])c(c1C)C(=O)O[Na]
Systematic name  (3)：
  • 2,7,12,18-テトラメチル-3-ビニル-8-エチル-13-(ソジオオキシカルボニル)-21H,23H-ポルフィリン15,17-ビス(プロピオン酸ナトリウム)
  • ナトリウム 14-エテニル-9-エチル-5,10,15,19-テトラメチル-2,20-ビス[3-オキソ-3-(ソジオオキシ)プロピル]-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-4-カルボキシラート
  • sodium 14-ethenyl-9-ethyl-5,10,15,19-tetramethyl-2,20-bis[3-oxo-3-(sodiooxy)propyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene-4-carboxylate
Other name (1)：
  • 2,7,12,18-Tetramethyl-3-vinyl-8-ethyl-13-(sodiooxycarbonyl)-21H,23H-porphyrin 15,17-bis(propionic acid sodium) salt
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