Chem
J-GLOBAL ID:200907075297835009   Nikkaji number:J1.153.723E

N,N-Dimethyl-N-[2-[[1-oxo-2,5-bis[(3-aminopropyl)amino]pentyl]amino]ethyl]-2,3-bis[(Z)-9-octadecenyloxy]-1-propanaminium

(2-{2,5-ビス[(3-アミノプロピル)アミノ]ペンタンアミド}エチル)({2,3-ビス[(9Z)-オクタデカ-9-エン-1-イルオキシ]プロピル})ジメチルアザニウム
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: C54H111N5[N+]O3
Molecular formula furigana: C54-H111-N6-O3
Molecular weight: 892.520
InChI: InChI=1S/C54H110N6O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-62-51-52(63-49-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)50-60(3,4)47-46-59-54(61)53(58-45-39-42-56)40-37-43-57-44-38-41-55/h19-22,52-53,57-58H,5-18,23-51,55-56H2,1-4H3/p+1/b21-19-,22-20-
InChI key: ZAIJZBUGFSPMCH-WRBBJXAJSA-O
SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC
Systematic name  (3):
  • N,N-ジメチル-N-[2-[[1-オキソ-2,5-ビス[(3-アミノプロピル)アミノ]ペンチル]アミノ]エチル]-2,3-ビス[(Z)-9-オクタデセニルオキシ]-1-プロパンアミニウム
  • (2-{2,5-ビス[(3-アミノプロピル)アミノ]ペンタンアミド}エチル)({2,3-ビス[(9Z)-オクタデカ-9-エン-1-イルオキシ]プロピル})ジメチルアザニウム
  • (2-{2,5-bis[(3-aminopropyl)amino]pentanamido}ethyl)({2,3-bis[(9Z)-octadec-9-en-1-yloxy]propyl})dimethylazanium
Other name (1):
  • N,N-Dimethyl-N-[2-[[1-oxo-2,5-bis[(3-aminopropyl)amino]pentyl]amino]ethyl]-2,3-bis[(Z)-9-octadecenyloxy]-1-propanaminium
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