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Substance Name: Papuamine dihydrochloride
RN: 112347-74-7
UNII: 6MU5BUN65U
InChIKey: FBCYTGHMWNWCCK-XZJJXRRRSA-N

Note

  • From an Indonesian sponge Haliclona sp.

Molecular Formula

  • C25-H40-N2.2Cl-H

Molecular Weight

  • 441.5268
 
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Names and Synonyms

Name of Substance

  • Papuamine dihydrochloride

Synonyms

  • (-)-Papuamine dihydrochloride
  • (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 dihydrochloride
  • 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-, dihydrochloride, (4as-(4ar*,5as*,10as*,11ar*,15as*,15br*,16E,18E,19ar*,19bs*))-
  • Papuamine dihydrochloride
  • Papuamine dihydrochloride [MI]
  • UNII-6MU5BUN65U

Registry Numbers

CAS Registry Number

  • 112347-74-7

FDA UNII

  • 6MU5BUN65U

System Generated Number

  • 0112347747

Structure Descriptors

InChI

1S/C25H40N2.2ClH/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;2*1H/b12-5+,13-6+;;/t18-,19-,20+,21+,22-,23-,24+,25+;;/m0../s1

InChIKey

FBCYTGHMWNWCCK-XZJJXRRRSA-N

Smiles

Cl.Cl.C1CC[C@@H]2[C@@H](C1)C[C@H]3NCCCN[C@@H]4C[C@@H]5CCCC[C@H]5[C@@H]4\C=C\C=C\[C@@H]23