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101803-03-6

101803-03-6 Structure

101803-03-6 Structure
IdentificationBack Directory
[Name]

N2-ETHYL-2'-DEOXYGUANOSINE
[CAS]

101803-03-6
[Synonyms]

N2-Et-dG
2'-Deoxy-N-ethylguanosine
N2-ETHYL-2'-DEOXYGUANOSINE
Guanosine,2'-deoxy-N-ethyl-
N2-Ethyl-2’-deoxy guanosine
Guanosine, 2'-deoxy-N-ethyl-
2-(ethylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
2-(Ethylamino)-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
[Molecular Formula]

C12H17N5O4
[MDL Number]

MFCD01631004
[MOL File]

101803-03-6.mol
[Molecular Weight]

295.29
Chemical PropertiesBack Directory
[Melting point ]

240-242 °C (decomp)
[density ]

1.764±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

2-8°C
[solubility ]

H2O: >5mg/mL
[form ]

solid
[pka]

10.620±0.10(predicted)
[color ]

white to off-white
[Water Solubility ]

H2O: >5mg/mL
[InChI]

1S/C12H17N5O4/c1-2-13-12-15-10-9(11(20)16-12)14-5-17(10)8-3-6(19)7(4-18)21-8/h5-8,18-19H,2-4H2,1H3,(H2,13,15,16,20)/t6-,7+,8+/m0/s1
[InChIKey]

VOKQFDULHQUWAV-XLPZGREQSA-N
[SMILES]

CCNC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

26/27/28-33-40
[Safety Statements ]

36/37/39-45
[RIDADR ]

UN 2811 6.1 / PGI
[WGK Germany ]

3
[HS Code ]

2934999090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Carc. 2
STOT RE 2
Hazard InformationBack Directory
[Uses]

2'-Deoxy-N-ethylguanosine is a acetaldehyde derived DNA adduct formed in human leukocyte DNA of healthy individuals following alcohol consumption.
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