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1-(2-Chloroethyl)-3-(D-glucopyranos-2-yl)-1-nitrosourea
SpectraBase Compound ID FXs02DkhYLd
InChI InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)
InChIKey MKQWTWSXVILIKJ-UHFFFAOYSA-N
Mol Weight 313.69 g/mol
Molecular Formula C9H16ClN3O7
Exact Mass 313.067678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XQ5diXdcO
Name 1-(2-Chloroethyl)-3-(D-glucopyranos-2-yl)-1-nitrosourea
Alternate Name(s) 2-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-D-glucose 2-(3-(2-Chloroethyl)-3-nitrosoureido)-2-deoxy-D-glucosopyranose 2-(3-(2-Chloroethyl)-3-nitrosoureido)-D-gluco-pyranose Chlorozotocin Chlz CZT D-Glucopyranose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy- D-Glucose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy- DCNU Glucopyranose, 2-deoxy-2-(3-(2-chloroethyl)-3-nitrosoureido)-, D- Urea, 1-(2-chloroethyl)-3-(D-glucopyranos-2-yl)-1-nitroso- 1-(2-Chloroethyl)-1-nitroso-3-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)urea 1-(2-Chloroethyl)-1-nitroso-3-[3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]urea NSC 178248 NSC D 254157
CAS Registry Number 54749-90-5
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Formula C9H16ClN3O7
InChI InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)
InChIKey MKQWTWSXVILIKJ-UHFFFAOYSA-N
Molecular Weight 313.694 g/mol
SMILES OCC(C(C(C(C=O)NC(N(N=O)CCCl)=O)O)O)O
SPLASH splash10-01ox-9100000000-d4521d4776df7fdf3187
Source of Spectrum NP-10-8185-0
Wiley ID 1109175