AG002LSW

22994-85-0 | 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-

AG002LSW

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CAS Number	22994-85-0
Catalog Number	AG002LSW(AGN-PC-0JKM09)
Chemical Name	1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-
IUPAC Name	N-benzyl-2-(2-nitroimidazol-1-yl)acetamide
InChI	InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
InChI Key	CULUWZNBISUWAS-UHFFFAOYSA-N
MDL Number	MFCD00243089
Molecular Formula	C12H12N4O3
Molecular Weight	260.2487
NSC Number	299972
SMILES	O=C(NCC1=CC=CC=C1)CN2C=CN=C2[N+]([O-])=O
UNII	YC42NRJ1ZD
Synonyms	2-nitroimidazole benznidazole, benznidazole, benzonidazole, Radanil, Ro 7-1051, BENZNIDAZOLE, 22994-85-0, Radanil, Benzonidazole, Benznidazol, benzonidazol, Benznidazolum, N-Benzyl-2-nitroimidazole-1-acetamide, Ro 07-1051, N-Benzyl-2-nitroimidazol-1-yl-acetamide, Rochagan, UNII-YC42NRJ1ZD, Benznidazol [INN-Spanish], Benznidazolum [INN-Latin], N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-, Ro 71051, NSC 299972, CCRIS 2200, N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide, 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide, Imidazole-1-acetamide, N-benzyl-2-nitro-, N-benzyl-2-(2-nitroimidazol-1-yl)acetamide, YC42NRJ1ZD, CHEMBL110, N-benzyl-2-nitro-1-imidazoleacetamide, BRN 0551486, Acetamide, N-benzyl-2-(nitroimidazol-1-yl)-, MMV688773, NSC299972, NCGC00166238-01, DSSTox_CID_26570, DSSTox_RID_81729, DSSTox_GSID_46570, SMR000857153, Benznidazole [INN], CAS-22994-85-0, 2-nitroimidazole benznidazole, Ragonil, benznidazole (TN), Rochagan (TN), Radanil (TN), Ro 7-1051, AC1L1LXE, AC1Q5AWY, Benznidazole (USAN/INN), Benznidazole [USAN:INN], SCHEMBL45081, MLS001332409, MLS001332410, MLS001360496, DTXSID9046570, CTK8G1651, ZINC56949, CHEBI:133833, HMS2233G13, HMS3369C11, HY-B1548, Tox21_112364, AN-480, BDBM50089916, MFCD00243089, AKOS015916722, AKOS024283499, Tox21_112364_1, DB11989, MCULE-5592629788, NSC-299972, Ro-7-1051, N-Benzyl-2-nitro-Imidazole-1-acetamide, 2-(2-nitroimidazolyl)-N-benzylacetamide, NCGC00166238-02, AK323200, LS-77966, QC-10765, ST069365, CS-0013411, FT-0662547, D02489, N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide, N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide, N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide, N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 97%, SR-01000841264, 2-(2-nitroimidazol-1-yl)-N-(phenylmethyl)acetamide, J-014932, SR-01000841264-3, BRD-K56156805-001-05-4, I14-52029, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)- (9CI), N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole), D04XGT, C12H12N4O3, CID31593, C12-H12-N4-O3, N-benzyl-2-nitroimidazole-1-yl acetamide, 5-23-04-00478 (Beilstein Handbook Reference), C009999,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.091g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.253g/mol
Monoisotopic Mass	260.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number