Cas no 480-82-0 (Indicine)

Indicine structure
Indicine structure
Product Name:Indicine
CAS No:480-82-0
MF:C15H25NO5
MW:299.362704992294
CID:931776
PubChem ID:73614
Update Time:2025-04-19

Indicine Chemical and Physical Properties

Names and Identifiers

    • Indicine
    • [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
    • (+)-indicine
    • [(1r,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl(2r,3s)-2,3-dihydroxy-2-isopropylbutanoate
    • 2,3-Dihydroxy-2-(1-methylethyl)-butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester
    • BRN 4324630
    • lycopsamine
    • NSC136052
    • SureCN166614
    • SFVVQRJOGUKCEG-XTWPYSKKSA-N
    • Butanoic acid,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-
    • NSC-136052
    • DTXSID60197389
    • BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (1R-(1.ALPHA.,7(2R*,3S*),7A.BETA.))-
    • AKOS030242135
    • [(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-isopropylbutanoate
    • 480-82-0
    • NCI60_000822
    • [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
    • CHEBI:5897
    • T82SFG1584
    • HY-N9130
    • BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((1R,7AR)-2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2R,3S)-
    • [(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2R,3S)-2,3-dihydroxy-2-(propan-2-yl)butanoate
    • RETRONECINE, 7-((2R,3S)-2,3-DIHYDROXY-2-ISOPROPYLBUTYRATE)
    • CS-0158821
    • FS-6709
    • Retronecine,3S)-2,3-dihydroxy-2-isopropylbutyrate]
    • NSC 136052
    • UNII-T82SFG1584
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1R-(1a,7(2R*,3S*),7a-beta))-
    • Q27106927
    • SCHEMBL166614
    • NS00094751
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2R,3S)-
    • CHEMBL471483
    • INDICIN
    • DA-51478
    • Inchi: 1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15+/m0/s1
    • InChI Key: SFVVQRJOGUKCEG-XTWPYSKKSA-N
    • SMILES: O[C@@H]1CCN2CC=C(COC([C@]([C@H](C)O)(C(C)C)O)=O)[C@@H]21

Computed Properties

  • Exact Mass: 299.17300
  • Monoisotopic Mass: 299.173
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 436
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.2A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.26
  • Boiling Point: 463.3°C at 760 mmHg
  • Flash Point: 234°C
  • Refractive Index: 1.567
  • PSA: 90.23000
  • LogP: -0.38940

Indicine Pricemore >>

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