Chem
J-GLOBAL ID：200907093108105192
Nikkaji number：J2.733.393A
20-(1-Methyl-1H-imidazole-2-yl)-[10,10′-ethynylenebis(21H,23H-porphyrin-5,15-dipropionic acid disodium)] salt
20-(1-メチル-1H-イミダゾール-2-イル)-[10,10′-エチニレンビス(21H,23H-ポルフィリン-5,15-ジプロピオン酸ジナトリウム)]
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
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
Molecular formula： C58H42N10Na4O8
Molecular formula furigana： C58-H42-N10-NA4-O8
Molecular weight： 1098.995
InChI：
InChI=1S/C58H46N10O8.4Na/c1-68-29-28-59-58(68)57-51-22-20-49(66-51)37(8-26-55(73)74)47-18-14-43(64-47)34(44-15-19-48(65-44)38(9-27-56(75)76)50-21-23-52(57)67-50)5-4-33-41-12-16-45(62-41)35(6-24-53(69)70)39-10-2-31(60-39)30-32-3-11-40(61-32)36(7-25-54(71)72)46-17-13-42(33)63-46;;;;/h2-3,10-23,28-30,60,63-64,67H,6-9,24-27H2,1H3,(H,69,70)(H,71,72)(H,73,74)(H,75,76);;;;/q;4*+1/p-4/b31-30-,32-30-,39-35-,40-36-,41-33-,42-33-,43-34-,44-34-,45-35-,46-36-,47-37-,48-38-,49-37-,50-38-,57-51+,57-52+;;;;
InChI key：
APSSLHQTNWJQPY-WOBJWBOMSA-J
SMILES：
Cn1ccnc1/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/CCC(=O)O[Na])[nH]4)/C#C/C/1=c/4\cc/c(=C(/C5=N/C(=C\c6ccc(/C(=C\7/C=CC1=N7)/CCC(=O)O[Na])[nH]6)/C=C5)\CCC(=O)O[Na])/[nH]4)/C=C3)\CCC(=O)O[Na])/[nH]2
Systematic name (3)：
- 20-(1-メチル-1H-イミダゾール-2-イル)-[10,10′-エチニレンビス(21H,23H-ポルフィリン-5,15-ジプロピオン酸ジナトリウム)]
- ナトリウム 3-[7-(2-{7,17-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(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル}エチニル)-17-(1-メチル-1H-イミダゾール-2-イル)-12-[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-2-イル]プロパノアート
- sodium 3-[7-(2-{7,17-bis[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-undecaen-2-yl}ethynyl)-17-(1-methyl-1H-imidazol-2-yl)-12-[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-undecaen-2-yl]propanoate
- 20-(1-Methyl-1H-imidazole-2-yl)-[10,10′-ethynylenebis(21H,23H-porphyrin-5,15-dipropionic acid disodium)] salt
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