Chem
J-GLOBAL ID：201507012101086130   Nikkaji number：J3.351.475A

[[2,7,13,17-Tetramethyl-18-vinyl-2-hydroxy-3-[2-(ethoxyimino)ethylidene]chlorin-8,12-diyl]bis[(3-oxotrimethylene)nitrilo]]tetra(acetic acid sodium) salt

[[2,7,13,17-テトラメチル-18-ビニル-2-ヒドロキシ-3-[2-(エトキシイミノ)エチリデン]クロリン-8,12-ジイル]ビス[(3-オキソトリメチレン)ニトリロ]]四(酢酸ナトリウム)
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： C44H45N7Na4O12
Molecular formula furigana： C44-H45-N7-NA4-O12
Molecular weight： 955.840
InChI： InChI=1S/C44H49N7O12.4Na/c1-7-26-23(3)30-15-31-24(4)27(9-11-38(52)50(19-40(54)55)20-41(56)57)33(46-31)17-34-28(10-12-39(53)51(21-42(58)59)22-43(60)61)25(5)32(47-34)16-36-29(13-14-45-63-8-2)44(6,62)37(49-36)18-35(26)48-30;;;;/h7,13-18,46,49,62H,1,8-12,19-22H2,2-6H3,(H,54,55)(H,56,57)(H,58,59)(H,60,61);;;;/q;4*+1/p-4/b29-13?,30-15-,34-17-,36-16-,37-18-,45-14?;;;;
InChI key： HGKMGGOYXKFREX-AQLCOYHESA-J
SMILES： CCON=CC=C1/C/2=C/C3=N/C(=C\c4[nH]c(/C=C/5\N=C(/C=C(\N2)/C1(C)O)C(=C5C)C=C)c(C)c4CCC(=O)N(CC(=O)O[Na])CC(=O)O[Na])/C(=C3C)CCC(=O)N(CC(=O)O[Na])CC(=O)O[Na]
Systematic name  (3)：
  • [[2,7,13,17-テトラメチル-18-ビニル-2-ヒドロキシ-3-[2-(エトキシイミノ)エチリデン]クロリン-8,12-ジイル]ビス[(3-オキソトリメチレン)ニトリロ]]四(酢酸ナトリウム)
  • ナトリウム 2-{3-[20-(2-{ビス[2-オキソ-2-(ソジオオキシ)エチル]カルバモイル}エチル)-14-エテニル-9-[2-(エトキシイミノ)エチリデン]-10-ヒドロキシ-5,10,15,19-テトラメチル-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(20),2,4,6(24),7,11,13(22),14,16,18-デカエン-4-イル]-N-[2-オキソ-2-(ソジオオキシ)エチル]プロパンアミド}アセタート
  • sodium 2-{3-[20-(2-{bis[2-oxo-2-(sodiooxy)ethyl]carbamoyl}ethyl)-14-ethenyl-9-[2-(ethoxyimino)ethylidene]-10-hydroxy-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,11,13(22),14,16,18-decaen-4-yl]-N-[2-oxo-2-(sodiooxy)ethyl]propanamido}acetate
Other name (1)：
  • [[2,7,13,17-Tetramethyl-18-vinyl-2-hydroxy-3-[2-(ethoxyimino)ethylidene]chlorin-8,12-diyl]bis[(3-oxotrimethylene)nitrilo]]tetra(acetic acid sodium) salt
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