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Details

Stereochemistry RACEMIC
Molecular Formula C17H22N2O.C7H7ClN4O2
Molecular Weight 484.978
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXYLAMINE CHLOROTHEOPHYLLINATE

SMILES

CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CN(C)CCOC(C)(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChIKey=GEYQYUZZYJHVGW-UHFFFAOYSA-N
InChI=1S/C17H22N2O.C7H7ClN4O2/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-12H,13-14H2,1-3H3;1-2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C17H22N2O
Molecular Weight 270.3694
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C7H7ClN4O2
Molecular Weight 214.609
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

Description

DOXYLAMINE CHLOROTHEOPHYLLINATE is a combination of two drugs doxylamine and 8-chlorotheophylline. Doxylamine is a first-generation antihistamine, that have short-term sedative effect. 8-Chlorotheophylline, a chlorinated derivative of theophylline, was added in order to counteract drowsiness. Doxylamine Chlorotheophyllinate can be used to treat motion sickness and nausea.

CNS Activity

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
POI7XGQ1HN
Record Status Validated (UNII)
Record Version