Evofosfamide

Catalog Number	ACM918633871
CAS	918633-87-1
Structure
IUPAC Name	2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine
Synonyms	evofosfamide;TH-302;918633-87-1;TH 302;TH302;n,n'-bis(2-bromoethyl)phosphorodiamidic acid (1-methyl-2-nitro-1h-imidazol-5-yl)methyl ester;UNII-8A9RZ3HN8W;8A9RZ3HN8W;compound 3b;HAP-302;TH-302; Evofosfamide;HAP-302;2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine;Phosphorodiamidic acid, N,N'-bis(2-bromoethyl)-, (1-methyl-2-nitro-1H-imidazol-5-yl)methyl ester;Phosphorodiamidic acid, N,N'-bis(2-bromoethyl)-, (1-methyl-2-nitro-1H-imidazol-5-yl)methyl ester.;Evofosfamide [USAN:INN];Evofosfamide(TH 302);Evofosfamide(TH-302);C9H16Br2N5O4P;cc-588;CHEMBL260046;Evofosfamide (JAN/USAN/INN);GTPL8695;SCHEMBL2357174;SCHEMBL15691894;DTXSID60238721;AMY16615;BCP06074;EX-A1740;s2757;ZINC29053729;AKOS026673946;ACN-037524;CCG-269225;CS-0616;DB06091;SB17116;AC-29025;AK198685;AS-74462;HY-10535;FT-0696771;X5809;J3.504.735B;D10704;W-5941;J-523214;Q7670203;(1-Methyl-2-nitro-1H-imidazol-5-yl)methyl N,N'-bis(2-bromoethyl)phosphorodiamidate;(2-bromoethyl)({[(2-bromoethyl)amino][(1-methyl-2-nitro-1H-imidazol-5-yl)methoxy]phosphoryl})amine
Molecular Weight	449.04g/mol
Molecular Formula	C9H16Br2N5O4P
Canonical SMILES	CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr
InChI	InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
InChI Key	UGJWRPJDTDGERK-UHFFFAOYSA-N
Complexity	374
Covalently-Bonded Unit Count	1
Exact Mass	448.92862g/mol
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Monoisotopic Mass	446.93067g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	114Å²
UNII	8A9RZ3HN8W
X Log P3	0.6

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