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88310

Theophylline-7-acetic acid

≥99.0% (T)

Synonym(s):

1,3-Dimethylxanthine-7-acetic acid

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About This Item

Empirical Formula (Hill Notation):
C9H10N4O4
CAS Number:
652-37-9
Molecular Weight:
238.20
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
57653298
EC Number:
211-490-2
Beilstein/REAXYS Number:
279221
MDL number:
MFCD00022832
Assay:
≥99.0% (T)
Form:
powder
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assay

≥99.0% (T)

form

powder

SMILES string

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

InChI

1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

InChI key

HCYFGRCYSCXKNQ-UHFFFAOYSA-N

Gene Information

human ... ADORA2B(136)

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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