AG005W0A

96020-91-6 | eflornithine ,eflornithine hydrochloride hydrate

AG005W0A

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CAS Number	96020-91-6
Catalog Number	AG005W0A(AGN-PC-0W5M6P)
Chemical Name	eflornithine ,eflornithine hydrochloride hydrate
EC Number	619-187-0
IUPAC Name	2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrate;hydrochloride
InChI	InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
InChI Key	FJPAMFNRCFEGSD-UHFFFAOYSA-N
MDL Number	MFCD00242734
Molecular Formula	C6H15ClF2N2O3
Molecular Weight	236.6447
SMILES	NCCCC(C(=O)O)(C(F)F)N.O.Cl
Synonyms	alpha Difluoromethyl Ornithine, alpha Difluoromethylornithine, alpha-Difluoromethyl Ornithine, alpha-Difluoromethylornithine, Difluoromethylornithine, DL alpha Difluoromethylornithine, DL-alpha-Difluoromethylornithine, Eflornithine, Eflornithine Hydrochloride, Eflornithine Monohydrochloride, Monohydrate, MDL 71,782 A, MDL-71,782 A, MDL71,782 A, Ornidyl, Ornithine, alpha-Difluoromethyl, RMI 71782, Vaniqa, 96020-91-6, Eflornithine hydrochloride hydrate, Eflornithine hydrochloride monohydrate, dfmo, Eflornithine HCl, Vaniqa, eflornithine ,eflornithine hydrochloride hydrate, difluoromethylornithine hydrochloride hydrate, Eflornithine hydrochloride [USAN], MDL 71,782 A, RMI-71782, Eflornithine (hydrochloride, hydrate), 2,5-diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride, 2-(Difluoromethyl)-DL-ornithine monohydrochloride, monohydrate, MDL-71782A, DL-alpha-Difluoromethylornithine, Hydrochloride, DFMO HCl, 2-(Difluoromethyl)ornithine hydrochloride hydrate, Eflornithine hydrochloride (USAN), DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate, Elfornithine, Eflornithine hydrochloride, hydrate, Vaniqa (TN), DFMO hydrochloride hydrate, CPP-1X, AC1L9B1G, SCHEMBL4510, C6H15ClF2N2O3, MLS006011949, CHEBI:4762, DL-2-(Difluoromethyl)ornithine, CHEMBL1201037, CTK8E9580, DL-|A-(Difluoromethyl)ornithine, eflornithine-hydrochloride-hydrate, HY-B0744B, KS-00000YBX, C6H12F2N2O2.HCl.H2O, FJPAMFNRCFEGSD-UHFFFAOYSA-N, MDL 71782A, S4582 Eflornithine hydrochloride, BCP11753, MFCD00242734, RFI 71782, s4582, AKOS022182099, AC-5497, BMS 203522, CS-3601, H-a-Difluoro-Me-DL-Orn-OH HCl H2O, NE46438, AK-64543, alpha-Difluoromethylornithine hydrochloride, AS-17855, SMR002530351, LS-178282, TR-038596, FT-0082826, FT-0650151, V2191, D00829, A845532, DL-|A-Difluoromethylornithine hydrochloride hydrate, I06-0530, 2-(Difluoromethyl)-DL-ornithine Hydrochloride Hydrate, Z1550675464, 2-(Difluoromethyl)-DL-ornithine monohydrochloride.monohydrate, 2,5-Diamino-2-(difluoromethyl)pentanoic acid hydrochloride hydrate, 2-difluoromethyl-2,5-diaminopentanoic acid monohydrate hydrochloride, 2-difluoromethyl-2,5-diamino-pentanoic acid monohydrate monohydrochloride, DL-alpha-Difluoromethylornithine hydrochloride hydrate, solid, >=97% (NMR), 2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pentanoic acid hydrate hydrochloride, DFMO hydrochloride hydrate;MDL-71782 hydrochloride hydrate;RMI-71782 hydrochloride hydrate;|A-difluoromethylornithine hydrochloride hydrate, Ornidyl, EFLORNITHINE, EFLORNITHINE HYDROCHLORIDE, Difluromethylornithine, UNII-4NH22NDW9H, D05UOW, 2-(Difluoromethyl)ornithine, Eflornithine HCl Monohydrate, 4NH22NDW9H, |A-(Difluoromethyl)ornithine, Eflornithinehydrochloridehydrate, C6H12F2N2O2.ClH.H2O, |A-(Difluoromethyl)-DL-ornithine, CID441361, MDL 71782, RMI 71782, C6-H12-F2-N2-O2.Cl-H.H2-O, eflornithine,eflornithinehydrochloridehydrate, |A,|A-Diamino-|A-(difluoromethyl)valeric Acid, 67037-37-0,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	236.644g/mol
Monoisotopic Mass	236.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number