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Nitisinone

CAS Registry Number®

104206-65-7

CAS Name

Nitisinone

Molecular Formula

C14H10F3NO5

Molecular Mass

329.23

Cite this Page

Nitisinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104206-65-7 (retrieved 2024-12-26) (CAS RN: 104206-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-142 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2

InChIKey

InChIKey=OUBCNLGXQFSTLU-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1)C2C(=O)CCCC2=O

Canonical SMILES

O=C(C1=CC=C(C=C1N(=O)=O)C(F)(F)F)C2C(=O)CCCC2=O

Other Names for this Substance

  • 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-
  • 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione
  • Nitisinone
  • SC 0735
  • Orfadin

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