Cas no 112455-84-2 (Papuamine)

Papuamine structure
Papuamine structure
Product Name:Papuamine
CAS No:112455-84-2
MF:C25H40N2
MW:368.59850692749
CID:1203702
PubChem ID:10248478
Update Time:2025-04-20

Papuamine Chemical and Physical Properties

Names and Identifiers

    • (4aS,5aR,10aR,11aS,15aR,15bS,16E,18E,19aS,19bR)-2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-docosahydro-1H-diindeno[2,1-f:1',2'-l][1,5]diazacyclotridecine
    • [4aS-(4aR*,5aS*,10aS*,11aR*,15aS*,15bR*,16E,18E,19aR*,19bS*)]-2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-Docosahydro-1H-diindeno[2,1-f:1',2'-1][1,5]diazacyclotridecine
    • (-)-Papuamine
    • DTXSID301019061
    • UNII-6695RBD96K
    • 1H-Diindeno(2,1-f:1',2'-l)(1,5)diazacyclotridecine, 2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-docosahydro-, (4aS,5aR,10aR,11aS,15aR,15bS,16E,18E,19aS,19bR)-
    • 6695RBD96K
    • (4aS,5aR,10aR,11aS,15aR,15bS,16E,18E,19aS,19bR)-2,3,4,4a,5,5a,6,7,8,9,10,10a,11,11a,12,13,14,15,15a,15b,19a,19b-Docosahydro-1H-diindeno(2,1-f:1',2'-1)(1,5)diazacyclotridecine
    • Papuamine
    • CHEMBL3577062
    • Papuamine [MI]
    • J-002780
    • SCHEMBL3199723
    • Q27263982
    • 112455-84-2
    • Papuamine, (-)-
    • (1S,2E,4E,6S,7R,12S,14R,20R,22S,27R)-15,19-diazapentacyclo[18.7.0.06,14.07,12.022,27]heptacosa-2,4-diene
    • (1S,2E,4E,6S,7R,12S,14R,20R,22S,27R)-15,19-diazapentacyclo(18.7.0.06,14.07,12.022,27)heptacosa-2,4-diene
    • DTXCID401477058
    • Inchi: 1S/C25H40N2/c1-3-10-20-18(8-1)16-24-22(20)12-5-6-13-23-21-11-4-2-9-19(21)17-25(23)27-15-7-14-26-24/h5-6,12-13,18-27H,1-4,7-11,14-17H2/b12-5+,13-6+/t18-,19-,20+,21+,22-,23-,24+,25+/m0/s1
    • InChI Key: ZKTFUNZCYRUILZ-XVMYYXKMSA-N
    • SMILES: N1CCCN[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2C=CC=C[C@@H]2[C@H]1C[C@@H]1CCCC[C@H]12 |t:16,18|

Computed Properties

  • Exact Mass: 368.319149284g/mol
  • Monoisotopic Mass: 368.319149284g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 0
  • Complexity: 505
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.6
  • Topological Polar Surface Area: 24.1?2

Papuamine Security Information

Papuamine Pricemore >>

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