Almitrine

CAS Registry Number®

27469-53-0
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CAS Name

Almitrine

Molecular Formula

C26H29F2N7

Molecular Mass

477.55

Cite this Page

Almitrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27469-53-0 (retrieved 2024-04-16) (CAS RN: 27469-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)

InChIKey

InChIKey=OBDOVFRMEYHSQB-UHFFFAOYSA-N

SMILES

C(N1CCN(CC1)C=2N=C(NCC=C)N=C(NCC=C)N2)(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4

Canonical SMILES

FC1=CC=C(C=C1)C(C2=CC=C(F)C=C2)N3CCN(C=4N=C(N=C(N4)NCC=C)NCC=C)CC3

Other Names for this Substance

  • 1,3,5-Triazine-2,4-diamine, 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-N2,N4-di-2-propen-1-yl-
  • s-Triazine, 2,4-bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-
  • 1,3,5-Triazine-2,4-diamine, 6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-N,N′-di-2-propenyl-
  • 6-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-N2,N4-di-2-propen-1-yl-1,3,5-triazine-2,4-diamine
  • 1-(4,6-Bis(allylamino)-2-s-triazinyl)-4-(4,4′-difluorobenzhydryl)piperazine

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