(4S,4′S)-1,1′-(1,4-Butanediyl)bis[hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one]

CAS Registry Number®

20410-93-9
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CAS Name

(4S,4′S)-1,1′-(1,4-Butanediyl)bis[hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one]

Molecular Formula

C30H42N4O2

Molecular Mass

490.68

Cite this Page

(4S,4′S)-1,1′-(1,4-Butanediyl)bis[hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20410-93-9 (retrieved 2024-09-19) (CAS RN: 20410-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m0/s1

InChIKey

InChIKey=LNCIXDIFZNXBDP-NSOVKSMOSA-N

SMILES

CN1[C@@H](CC(=O)N(CCCCN2C(=O)C[C@H](N(C)CCC2)C3=CC=CC=C3)CCC1)C4=CC=CC=C4

Canonical SMILES

O=C1N(CCCN(C)C(C=2C=CC=CC2)C1)CCCCN3C(=O)CC(C=4C=CC=CC4)N(C)CCC3

Other Names for this Substance

  • 1,5-Diazocin-2-one, 1,1′-(1,4-butanediyl)bis[hexahydro-5-methyl-4-phenyl-, (4S,4′S)-
  • 1,5-Diazocin-2(1H)-one, 1,1′-(1,4-butanediyl)bis[hexahydro-5-methyl-4-phenyl-, [S-(R*,R*)]-
  • Homaline
  • (4S,4′S)-1,1′-(1,4-Butanediyl)bis[hexahydro-5-methyl-4-phenyl-1,5-diazocin-2-one]
  • (-)-Homaline

Deleted or Replaced CAS Registry Numbers

11051-54-0