Eflornithine hydrochloride

C6H13ClF2N2O2CAS 68278-23-9218.63 g/mol

Open in Covalent MOL file
HClH2NH2NOOHFF
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C6H13ClF2N2O2
Molar mass
218.63 g/mol
Exact mass
218.0634 Da
Melting point
183 °C
logP
0.19Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
68278-23-9
SMILES
Cl.NCCCC(N)(C(=O)O)C(F)F
InChIKey
VKDGNNYJFSHYKD-UHFFFAOYSA-N
InChI
InChI=1S/C6H12F2N2O2.ClH/c7-4(8)6(10,5(11)12)2-1-3-9;/h4H,1-3,9-10H2,(H,11,12);1H

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Names and synonyms

9 names
  • Ornithine, 2-(difluoromethyl)-, hydrochloride (1:1)
  • DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride
  • Ornithine, 2-(difluoromethyl)-, monohydrochloride
  • Vaniqa
  • NSC 270295
  • NSC 337250
  • DFMO HCl
  • 2,5-Diamino-2-(difluoromethyl)pentanoic acid hydrochloride
  • Eflornithine hydrochloride anhydrous

Work with Eflornithine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride96020-91-6Hydrate

Similar compounds

1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-044 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-543 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-838 % similar 5-Aminovaleric acid hydrochloride627-95-237 % similar DL-ornithine hydrochloride1069-31-436 % similar (R)-Ornithine hydrochloride16682-12-536 % similar Ornithine hydrochloride3184-13-236 % similar Ornithine dihydrochloride6211-16-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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