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88308

Theophylline

≥99.0% (HPLC)

Synonym(s):

1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione

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About This Item

Empirical Formula (Hill Notation):
C7H8N4O2
CAS Number:
58-55-9
Molecular Weight:
180.16
EC Number:
200-385-7
UNSPSC Code:
41106305
PubChem Substance ID:
329769646
Beilstein/REAXYS Number:
13463
MDL number:
MFCD00079619
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biological source

synthetic

assay

≥99.0% (HPLC)

form

powder (with lumps)

loss

≤0.5% loss on drying

mp

271-273 °C

solubility

water: 5.5 g/L at 19.9 °C

SMILES string

CN1C(=O)N(C)c2[nH]cnc2C1=O

InChI

1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

InChI key

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE3A(5139), PDE3B(5140), PDE4A(5141), PDE4B(5142), PDE4C(5143), PDE4D(5144)

Biochem/physiol Actions

Phosphodiesterase inhibitor; diuretic; cardiac stimulant; muscle relaxant; asthma medication.

Other Notes

Potent competitive inhibitor of cAMP phosphodiesterase

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pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Repr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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