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AG00ECDO

59729-37-2 | Fexinidazole

AG00ECDO

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CAS Number	59729-37-2
Catalog Number	AG00ECDO(AGN-PC-0BJEQX)
Chemical Name	Fexinidazole
IUPAC Name	1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
InChI	InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3
InChI Key	MIWWSGDADVMLTG-UHFFFAOYSA-N
MDL Number	MFCD00866607
Molecular Formula	C12H13N3O3S
Molecular Weight	279.3149
SMILES	O=[N+](C1=CN=C(COC2=CC=C(SC)C=C2)N1C)[O-]
UNII	306ERL82IR
Synonyms	fexinidazole, HOE 239, Fexinidazole, 59729-37-2, 1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole, UNII-306ERL82IR, Hoe-239, 306ERL82IR, AK116408, Fexinidazol, Fexinidazolum, 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole, 1-Methyl-2-((4-(methylthio)phenoxy)-methyl)-5-nitro-1H-imidazole, fexinidazole[inn], Fexinidazole [INN], Fexinidazol [INN-Spanish], Fexinidazolum [INN-Latin], AC1L2AGG, Fexinidazole (HOE-239), MLS006010234, SCHEMBL1163575, ZINC1448, CHEMBL1631694, DTXSID00208448, HOE 239, MIWWSGDADVMLTG-UHFFFAOYSA-N, AC1Q2092, BCP07460, KS-00001D7Z, MFCD00866607, AKOS016010427, API0011451, CS-5535, DB12265, MP-1536, SB16940, 4CA-0532, AJ-08031, HY-13801, SMR004701311, AB0068694, AX8130352, ST24027121, Z4922, 1-methyl-2-(4-methylthiophenyloxymethyl)-5-nitro-imidazole, 1-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole, 1-methyl-2-(4-methylthiophenyl-oxymethyl)-5-nitro-imidazole, D00RWW, C12H13N3O3S, CID68792, AR-1J0779, C12-H13-N3-O3-S, DS-4574, Fexinidazole (human African trypanosomiasis), Fexinidazole (HAT), Drugs for Neglected Diseases initiative, Fexinidazole (African sleeping sickness), Drugs for Neglected Diseases initiative, Fexinidazole (human African trypanosomiasis), Drugs for Neglected Diseases initiative, 6140-74-5,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.068g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	279.314g/mol
Monoisotopic Mass	279.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	98.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited