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H9006

7-(β-Hydroxyethyl)theophylline

solid

Synonym(s):

1,3-Dimethyl-7-(2-hydroxyethyl)xanthine

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About This Item

Empirical Formula (Hill Notation):
C9H12N4O3
CAS Number:
519-37-9
Molecular Weight:
224.22
NACRES:
NA.77
PubChem Substance ID:
24895836
UNSPSC Code:
41106305
EC Number:
208-269-8
MDL number:
MFCD00055055
Form:
solid
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form

solid

color

white

solubility

H2O: soluble (Solutions may be stored for several days at 4°C.), ethanol: moderately soluble (Solutions may be stored for several days at 4°C.)

SMILES string

CN1C(=O)N(C)c2ncn(CCO)c2C1=O

InChI

1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3

InChI key

NWPRCRWQMGIBOT-UHFFFAOYSA-N

Gene Information

human ... ADORA2B(136)

Application

Useful synthetic intermediate in the preparation of 7-substituted xanthines.

Biochem/physiol Actions

Pharmacological profile similar to theophylline.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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