Chem
J-GLOBAL ID:200907009934672523   Nikkaji number:J1.201.292F

NBD-PC

1-ヘキサノイル-2-[6-[(7-ニトロ-2,1,3-ベンズオキサジアゾール-4-イル)アミノ]ヘキサノイル]-sn-グリセロ-3-ホスホコリン
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: C26H42N3[N+]2O9[O-]2P
Molecular formula furigana: C26-H42-N5-O11-P
Molecular weight: 631.620
InChI: InChI=1S/C26H42N5O11P/c1-5-6-8-11-23(32)38-18-20(19-40-43(36,37)39-17-16-31(2,3)4)41-24(33)12-9-7-10-15-27-21-13-14-22(30(34)35)26-25(21)28-42-29-26/h13-14,20H,5-12,15-19H2,1-4H3,(H-,27,29,36,37)/t20-/m1/s1
InChI key: NNUJEESYNDBBPP-HXUWFJFHSA-N
SMILES: CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12
Systematic name  (3):
  • [O-[1-O-ヘキサノイル-2-O-[6-[(7-ニトロベンゾフラザン-4-イル)アミノ]ヘキサノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • (2-{[(2R)-3-(ヘキサノイルオキシ)-2-({6-[(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イル)アミノ]ヘキサノイル}オキシ)プロピル ホスホナト]オキシ}エチル)トリメチルアザニウム
  • (2-{[(2R)-3-(hexanoyloxy)-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (4):
  • [O-[1-O-Hexanoyl-2-O-[6-[(7-nitrobenzofurazane-4-yl)amino]hexanoyl]-L-glycero-3-phospho]choline]anion
  • NBD-PC
  • 1-ヘキサノイル-2-[6-[(7-ニトロ-2,1,3-ベンズオキサジアゾール-4-イル)アミノ]ヘキサノイル]-sn-グリセロ-3-ホスホコリン
  • 1-Hexanoyl-2-[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl]-sn-glycero-3-phosphocholine
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