3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

CAS Registry Number®

1256245-85-8

CAS Name

3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

Molecular Formula

C31H29F3N4O3

Molecular Mass

562.58

Cite this Page

3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1256245-85-8 (retrieved 2024-11-25) (CAS RN: 1256245-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H29F3N4O3/c1-3-17-16-38-13-11-18(17)14-25(38)26(22-10-12-35-24-9-8-21(41-2)15-23(22)24)37-28-27(29(39)30(28)40)36-20-6-4-19(5-7-20)31(32,33)34/h3-10,12,15,17-18,25-26,36-37H,1,11,13-14,16H2,2H3/t17-,18-,25-,26-/m0/s1

InChIKey

InChIKey=CXSJHIJBMDWYPB-JZWJADFXSA-N

SMILES

[C@@H](NC1=C(NC2=CC=C(C(F)(F)F)C=C2)C(=O)C1=O)([C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H])C=5C6=C(C=CC(OC)=C6)N=CC5

Canonical SMILES

O=C1C(=O)C(NC(C=2C=CN=C3C=CC(OC)=CC32)C4N5CCC(C4)C(C=C)C5)=C1NC6=CC=C(C=C6)C(F)(F)F

Other Names for this Substance

  • 3-Cyclobutene-1,2-dione, 3-[[(8α,9S)-6′-methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-
  • 3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione
  • 3-[[(8α,9S)-6′-Methoxycinchonan-9-yl]aMino]-4-[[4-(trifluoroMethyl)phenyl]aMino]-3-Cyclobutene-1,2-dione

CAS INSIGHTSTM
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