Chem
J-GLOBAL ID:200907048981294036   Nikkaji number:J131.667B

N-(6-Octenyl)-N-hydroxymethyl-N,N-bis(1-carboxypropyl)ammonium betaine calcium salt

N-(6-オクテニル)-N-ヒドロキシメチル-N,N-ビス(1-カルボキシプロピル)アンモニウムベタインカルシウム塩
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: C34H60Ca[N+]2O8[O-]2
Molecular formula furigana: C34-H60-CA-N2-O10
Molecular weight: 696.936
InChI: InChI=1S/2C17H31NO5.Ca/c2*1-4-7-8-9-10-11-12-18(13-19,14(5-2)16(20)21)15(6-3)17(22)23;/h2*4,7,14-15,19H,5-6,8-13H2,1-3H3,(H-,20,21,22,23);/q;;+2/p-2
InChI key: FHOPMKNUYRREHE-UHFFFAOYSA-L
SMILES: CCC(C(=O)[O-])[N+](CO)(CCCCCC=CC)C(CC)C(=O)O[Ca]OC(=O)C(CC)[N+](CO)(CCCCCC=CC)C(CC)C(=O)[O-]
Systematic name  (3):
  • ビス[2-[N-(ヒドロキシメチル)-N-(1-カルボキシラトプロピル)-N-(6-オクテニル)アミニオ]酪酸]カルシウム
  • 2-[(1-{[({2-[(1-カルボキシラトプロピル)(ヒドロキシメチル)(オクタ-6-エン-1-イル)アザニウミル]ブタノイル}オキシ)カルシオ]オキシ}-1-オキソブタン-2-イル)(ヒドロキシメチル)(オクタ-6-エン-1-イル)アザニウミル]ブタノアート
  • 2-[(1-{[({2-[(1-carboxylatopropyl)(hydroxymethyl)(oct-6-en-1-yl)azaniumyl]butanoyl}oxy)calcio]oxy}-1-oxobutan-2-yl)(hydroxymethyl)(oct-6-en-1-yl)azaniumyl]butanoate
Other name (3):
  • N-(6-Octenyl)-N-hydroxymethyl-N,N-bis(1-carboxypropyl)ammonium betaine calcium salt
  • N-(6-オクテニル)-N-ヒドロキシメチル-N,N-ビス(1-カルボキシプロピル)アンモニウムベタインカルシウム塩
  • Bis[2-[N-(hydroxymethyl)-N-(1-carboxylatopropyl)-N-(6-octenyl)aminio]butyric acid]calcium salt
Regulation number (1):
  • (2)-1260
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