AG003AOX

Name: Gardiquimod diTFA
Brand: Angene Chemical
SKU: AG003AOX

1159840-61-5 | Gardiquimod diTFA

AG003AOX

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CAS Number	1159840-61-5
Catalog Number	AG003AOX(AGN-PC-077TNT)
Chemical Name	Gardiquimod diTFA
IUPAC Name	1-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
InChI	InChI=1S/C17H23N5O.2C2HF3O2/c1-4-19-9-13-21-14-15(22(13)10-17(2,3)23)11-7-5-6-8-12(11)20-16(14)18;23-2(4,5)1(6)7/h5-8,19,23H,4,9-10H2,1-3H3,(H2,18,20);2(H,6,7)
InChI Key	XFQPQSJDMJVOBN-UHFFFAOYSA-N
MDL Number	MFCD31619251
Molecular Formula	C21H25F6N5O5
Molecular Weight	541.4441
SMILES	FC(C(=O)O)(F)F.NC1=NC=2C=CC=CC2C2=C1N=C(N2CC(O)(C)C)CNCC.FC(C(=O)O)(F)F
Synonyms	Gardiquimod trifluoroacetate, 1159840-61-5, CHEMBL470426, HY-103697A, CS-0032944, 1H-Imidazo[4,5-c]quinoline-1-ethanol, 4-amino-2-[(ethylamino)methyl]-alpha,alpha-dimethyl-, 2,2,2-trifluoroacetate (1:2), Gardiquimod,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	541.176g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	541.451g/mol
Monoisotopic Mass	541.176g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	164A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited