Naltrindole

CAS Registry Number®

111555-53-4

CAS Name

Naltrindole

Molecular Formula

C26H26N2O3

Molecular Mass

414.50

Cite this Page

Naltrindole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111555-53-4 (retrieved 2024-11-24) (CAS RN: 111555-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    270 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1

InChIKey

InChIKey=WIYUZYBFCWCCQJ-IFKAHUTRSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3(C6=C(C1)C=7C(N6)=CC=CC7)[H])=C(O)C=CC5C[C@]2(N(CC8CC8)CC4)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4C=5NC=6C=CC=CC6C5CC7(O)C(N(CCC347)CC8CC8)C2

Other Names for this Substance

  • 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)-
  • 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, [8R-(4bS*,8α,8aβ,14bβ)]-
  • (4bS,8R,8aS,14bR)-7-(Cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
  • Naltrindole
  • NIH 10589

View All

Deleted or Replaced CAS Registry Numbers

1217599-58-0

CAS INSIGHTSTM
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