Chem
J-GLOBAL ID：200907088241582684   Nikkaji number：J1.069.163J

3,7,12,17-Tetramethyl-8-vinyl-13-ethyl-18-(sodiooxycarbonyl)-20-[2-(sodiooxy)-2-oxoethyl]-21H,23H-porphyrin-2-propionic acid sodium salt

3,7,12,17-テトラメチル-8-ビニル-13-エチル-18-(ソジオオキシカルボニル)-20-[2-(ソジオオキシ)-2-オキソエチル]-21H,23H-ポルフィリン-2-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： C34H31N4Na3O6
Molecular formula furigana： C34-H31-N4-NA3-O6
Molecular weight： 660.613
InChI： InChI=1S/C34H34N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,36-37H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-,33-22-;;;
InChI key： XHKONTNRVITQPD-SEYMVLNPSA-K
SMILES： CCc1c(C)c2/C=C/3\N=C(/C=c/4\[nH]/c(=C(/CC(=O)O[Na])\C5=N/C(=C\c1[nH]2)/C(=C5C(=O)O[Na])C)/c(CCC(=O)O[Na])c4C)C(=C3C=C)C
Systematic name  (3)：
  • 3,7,12,17-テトラメチル-8-ビニル-13-エチル-18-(ソジオオキシカルボニル)-20-[2-(ソジオオキシ)-2-オキソエチル]-21H,23H-ポルフィリン-2-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-[2-オキソ-2-(ソジオオキシ)エチル]-20-[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(24),4,6,8,10,12,14,16(22),17,19-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-[2-oxo-2-(sodiooxy)ethyl]-20-[3-oxo-3-(sodiooxy)propyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-4-carboxylate
Other name (1)：
  • 3,7,12,17-Tetramethyl-8-vinyl-13-ethyl-18-(sodiooxycarbonyl)-20-[2-(sodiooxy)-2-oxoethyl]-21H,23H-porphyrin-2-propionic acid sodium salt
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