Chem
J-GLOBAL ID:200907054687349035   Nikkaji number:J2.035.484D

[O-[1-O-Oleoyl-2-O-[12-[(7-nitrobenzofurazane-4-yl)amino]dodecanoyl]-L-glycero-3-phospho]choline]anion

[O-[1-O-オレオイル-2-O-[12-[(7-ニトロベンゾフラザン-4-イル)アミノ]ドデカノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
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: C44H76N3[N+]2O9[O-]2P
Molecular formula furigana: C44-H76-N5-O11-P
Molecular weight: 882.090
InChI: InChI=1S/C44H76N5O11P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29-41(50)56-36-38(37-58-61(54,55)57-35-34-49(2,3)4)59-42(51)30-27-24-21-18-16-19-22-25-28-33-45-39-31-32-40(48(52)53)44-43(39)46-60-47-44/h12-13,31-32,38H,5-11,14-30,33-37H2,1-4H3,(H-,45,47,54,55)/b13-12-/t38-/m1/s1
InChI key: DLMNHXAJBHZYME-PGIFZVEJSA-N
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12
Systematic name  (4):
  • [O-[1-O-オレオイル-2-O-[12-[(7-ニトロベンゾフラザン-4-イル)アミノ]ドデカノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • [O-[1-O-オレオイル-2-O-[12-(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イルアミノ)ドデカノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • トリメチル(2-{[(2R)-2-({12-[(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イル)アミノ]ドデカノイル}オキシ)-3-[(9Z)-オクタデカ-9-エノイルオキシ]プロピル ホスホナト]オキシ}エチル)アザニウム
  • trimethyl(2-{[(2R)-2-({12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanoyl}oxy)-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)azanium
Other name (2):
  • [O-[1-O-Oleoyl-2-O-[12-[(7-nitrobenzofurazane-4-yl)amino]dodecanoyl]-L-glycero-3-phospho]choline]anion
  • [O-[1-O-Oleoyl-2-O-[12-(7-nitro-2,1,3-benzooxadiazole-4-ylamino)dodecanoyl]-L-glycero-3-phospho]choline]anion
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