(3aS,3′aS,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′-dimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

CAS Registry Number®

5545-89-1
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CAS Name

(3aS,3′aS,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′-dimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

Molecular Formula

C22H26N4

Molecular Mass

346.47

Cite this Page

(3aS,3′aS,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′-dimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5545-89-1 (retrieved 2024-05-15) (CAS RN: 5545-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-189 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1

InChIKey

InChIKey=HOYXPMHLHJOGHD-FNAHDJPLSA-N

SMILES

CN1[C@]2([C@](C=3C(N2)=CC=CC3)(CC1)[C@]45C=6C(N[C@]4(N(C)CC5)[H])=CC=CC6)[H]

Canonical SMILES

C=1C=CC2=C(C1)NC3N(C)CCC23C45C=6C=CC=CC6NC5N(C)CC4

Other Names for this Substance

  • 3a,3′a(1H,1′H)-Bipyrrolo[2,3-b]indole, 2,2′,3,3′,8,8′,8a,8′a-octahydro-1,1′-dimethyl-, (3aS,3′aS,8aS,8′aS)-
  • Chimonanthine
  • Calycanthidine, 1-demethyl-
  • Pyrrolo[2,3-b]indole, calycanthidine deriv.
  • (3aS,3′aS,8aS,8′aS)-2,2′,3,3′,8,8′,8a,8′a-Octahydro-1,1′-dimethyl-3a,3′a(1H,1′H)-bipyrrolo[2,3-b]indole

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Deleted or Replaced CAS Registry Numbers

23047-05-4, 23102-84-3, 856613-87-1

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