PFAS
全球PFAS筛查数据库
波呋莫司汀
Bofumustine
ICIG-1105, Bofumustine
CAS号: 55102-44-8
IUPAC名称: [(3aR,6R,6aR)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
分子式: C18H21ClN4O9
分子量: 472.83400
InChI: InChI=1S/C18H21ClN4O9/c1-18(2)31-13-12(9-29-16(24)10-3-5-11(6-4-10)23(27)28)30-15(14(13)32-18)20-17(25)22(21-26)8-7-19/h3-6,12-15H,7-9H2,1-2H3,(H,20,25)/t12-,13-,14-,15?/m1/s1
InChIKey: YASNUXZKZNVXIS-CBNXCZCTSA-N
SMILES: CC1(O[C@@H]2[C@H](OC([C@@H]2O1)NC(=O)N(CCCl)N=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C
EINECS: -
