BitterDB ID=516

Theophylline Sodium acetate

BitterDB id=516

References for the compound bitterness

	Resource	Comment
[1]	Merck Index Monograph Number: 9285

Known bitter receptors targets:

There is no available data on associated receptors

Sensory data about the compound bitterness:

There is no sensory data available

Properties:

Mol. Weight: 262.2000 [g/mol]	AlogP(octanol-water): -5.27950
# Hydrogen Bond Donor: 1	# Hydrogen Bond Acceptor: 7
# Aromatic Rings: 2	# Rings: 2
# Rotatable Bonds: 0

Identifiers:

CAS Registry Number: 8002-89-9

Formula: C9H11N4NaO4

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: JDYRVPRLEPMNDB-UHFFFAOYSA-M

Links:

[1]	PubChem	23675769
[2]	ZINC	ZINC000018043251
[3]	Guide to PHARMACOLOGY	413