Hydrabamine

CAS Registry Number®

125-92-8

CAS Name

Hydrabamine

Molecular Formula

C42H64N2

Molecular Mass

596.97

Cite this Page

Hydrabamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125-92-8 (retrieved 2025-03-15) (CAS RN: 125-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H64N2/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3/t37-,38-,39-,40-,41+,42+/m0/s1

InChIKey

InChIKey=XGIHQYAWBCFNPY-AZOCGYLKSA-N

SMILES

C[C@@]12[C@]([C@@](CNCCNC[C@@]3(C)[C@]4([C@@](C)(C=5C(CC4)=CC(C(C)C)=CC5)CCC3)[H])(C)CCC1)(CCC=6C2=CC=C(C(C)C)C6)[H]

Canonical SMILES

C=1C=C2C(=CC1C(C)C)CCC3C2(C)CCCC3(C)CNCCNCC4(C)CCCC5(C6=CC=C(C=C6CCC54)C(C)C)C

Other Names for this Substance

  • 1,2-Ethanediamine, N1,N2-bis[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-
  • Ethylenediamine, N,N′-bis[(1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethyl-1-phenanthryl)methyl]-
  • 1,2-Ethanediamine, N,N′-bis[[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-, [1R-[1α(1R*,4aS*,10aR*),4aβ,10aα]]-
  • Ethylenediamine, N,N′-bis(dehydroabietyl)-
  • 1,2-Ethanediamine, N,N′-bis[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-

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Deleted or Replaced CAS Registry Numbers

856655-74-8