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Merck
CN

37910

7-(2,3-Dihydroxypropyl)theophylline

≥97.0% (HPLC)

Synonym(s):

7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, Diprophylline, Dyphylline

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About This Item

Empirical Formula (Hill Notation):
C10H14N4O4
CAS Number:
479-18-5
Molecular Weight:
254.24
EC Number:
207-526-1
UNSPSC Code:
41106305
PubChem Substance ID:
24863612
Beilstein/REAXYS Number:
284563
MDL number:
MFCD00005759

Key Documents

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assay

≥97.0% (HPLC)

ign. residue

≤0.1%

mp

161-162 °C (lit.), 161-164 °C

SMILES string

CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O

InChI

1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

InChI key

KSCFJBIXMNOVSH-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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