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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O4.C7H8N4O2
Molecular Weight 378.3798
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAITHYLLINE

SMILES

CN1C2=C(NC=N2)C(=O)N(C)C1=O.COC3=C(OCC(O)CO)C=CC=C3

InChI

InChIKey=PVKUHCBHOUMGJN-UHFFFAOYSA-N
InChI=1S/C10H14O4.C7H8N4O2/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-5,8,11-12H,6-7H2,1H3;3H,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C7H8N4O2
Molecular Weight 180.164
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H14O4
Molecular Weight 198.2158
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Guaithylline (or Guaifylline), a xanthine derivative that was studied as a bronchodilator and expectorant, however, has never been marketed.

Approval Year

Substance Class Chemical
Record UNII
23LFU6H8JD
Record Status Validated (UNII)
Record Version