Albaconazole

CAS Registry Number®

187949-02-6
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CAS Name

Albaconazole

Molecular Formula

C20H16ClF2N5O2

Molecular Mass

431.82

Cite this Page

Albaconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=187949-02-6 (retrieved 2024-04-25) (CAS RN: 187949-02-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    93-110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1

InChIKey

InChIKey=UHIXWHUVLCAJQL-MPBGBICISA-N

SMILES

[C@@]([C@@H](C)N1C(=O)C=2C(N=C1)=CC(Cl)=CC2)(CN3C=NC=N3)(O)C4=C(F)C=C(F)C=C4

Canonical SMILES

O=C1C=2C=CC(Cl)=CC2N=CN1C(C)C(O)(C3=CC=C(F)C=C3F)CN4N=CN=C4

Other Names for this Substance

  • 4(3H)-Quinazolinone, 7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-
  • 4(3H)-Quinazolinone, 7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-, [R-(R*,R*)]-
  • 7-Chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4(3H)-quinazolinone
  • UR 9825
  • (1R,2R)-7-Chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]quinazolin-4(3H)-one

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