Cas no 41708-76-3 (Indicine N-Oxide)

Indicine N-Oxide is a pyrrolizidine alkaloid derivative known for its potential applications in medicinal chemistry and pharmacological research. It exhibits selective cytotoxicity, making it a compound of interest in the study of antitumor agents. Its N-oxide functional group enhances solubility and modifies bioavailability, which can be advantageous in drug formulation. Researchers value Indicine N-Oxide for its role in exploring structure-activity relationships in alkaloid-based therapeutics. The compound is typically used in controlled laboratory settings for its biochemical properties and is handled with care due to its potential toxicity. Its stability and well-characterized structure support reproducible experimental outcomes.
Indicine N-Oxide structure
Indicine N-Oxide structure
Product Name:Indicine N-Oxide
CAS No:41708-76-3
MF:C15H25NO6
MW:315.362105131149
CID:881493
PubChem ID:280564
Update Time:2025-06-09

Indicine N-Oxide Chemical and Physical Properties

Names and Identifiers

    • INDICINE-N-OXIDE
    • Indicine N-Oxide
    • [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
    • INDI
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (1R-(1-apha,7(2R*,3S),7-a lpha,beta))-
    • NSC 132319
    • UNII-69L6IW0Y7P
    • 2,3-Dihydroxy-2-(1-methylethyl) butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester N-oxide
    • 69L6IW0Y7P
    • NSC-132319
    • BRN 5764712
    • BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((1R,7AS)-2,3,5,7A-TETRAHYDRO-1-HYDROXY-4-OXIDO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2R,3S)-
    • NSC-132,319
    • (+)-Indicine N-oxide
    • Indicin-N-oxid
    • Indicine N-oxide, HPLC Grade
    • Indicine, N-oxide
    • [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
    • HY-105529
    • NSC132319
    • Indicine N-oxide (7CI); (+)-Indicine N-oxide
    • NCI60_000712
    • DTXSID101315334
    • Butanoic acid, (2R,3S)-dihydroxy-2-(1-methylethyl)-(2,3,5,7a-tetrahydro-(1R)-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide
    • CHEMBL512655
    • AKOS040758123
    • CS-0026202
    • MFCD00866484
    • Butanoic acid,3-dihydroxy-2-(1-methylethyl)- (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester, N-oxide, (1R-(1.alpha.,7(2R*,3S*),7a.beta))-
    • BDBM50480295
    • 1ST14184
    • 41708-76-3
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aS)-2,3,5,7a-tetrahydro-1-hydroxy-4-oxido-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-
    • DA-74474
    • Inchi: 1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+,16?/m0/s1
    • InChI Key: DNAWGBOKUFFVMB-PZIGJSDBSA-N
    • SMILES: [O-][N+]12CC=C(COC([C@]([C@H](C)O)(C(C)C)O)=O)[C@@H]1[C@@H](CC2)O

Computed Properties

  • Exact Mass: 315.16818752g/mol
  • Monoisotopic Mass: 315.16818752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 479
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1359 (rough estimate)
  • Melting Point: 130.5°C (rough estimate)
  • Boiling Point: 454.91°C (rough estimate)
  • Refractive Index: 1.5000 (estimate)

Indicine N-Oxide Security Information

  • Hazardous Material transportation number:1544
  • HazardClass:6.1(b)
  • PackingGroup:III

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Indicine N-Oxide Suppliers

Amadis Chemical Company Limited
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(CAS:41708-76-3)Indicine N-Oxide
Order Number:A1230777
Stock Status:in Stock
Quantity:10mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:24
Price ($):348
Recommended suppliers
Amadis Chemical Company Limited
(CAS:41708-76-3)Indicine N-Oxide
A1230777
Purity:99%
Quantity:10mg
Price ($):348
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