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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 C7H7ClN4O2
Molecular Weight 214.609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Description
Curator's Comment: description was created based on several sources, including https://worldwide.espacenet.com/publicationDetails/originalDocument?CC=US&NR=2534236A&KC=A&FT=D&ND=3&date=19501219&DB=EPODOC&locale=en_EP

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.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Wed Jul 05 23:06:03 UTC 2023
Edited
by admin
on Wed Jul 05 23:06:03 UTC 2023
Record UNII
POI7XGQ1HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXYLAMINE CHLOROTHEOPHYLLINATE
Common Name English
1H-PURINE-2,6-DIONE, 8-CHLORO-3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH N,N-DIMETHYL-2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)ETHANAMINE (1:1)
Systematic Name English
DOXYLAMINE CHLOROTHEOPHYLINATE
Common Name English
Code System Code Type Description
PUBCHEM
31834
Created by admin on Wed Jul 05 23:06:03 UTC 2023 , Edited by admin on Wed Jul 05 23:06:03 UTC 2023
PRIMARY
CAS
23282-67-9
Created by admin on Wed Jul 05 23:06:03 UTC 2023 , Edited by admin on Wed Jul 05 23:06:03 UTC 2023
PRIMARY
FDA UNII
POI7XGQ1HN
Created by admin on Wed Jul 05 23:06:03 UTC 2023 , Edited by admin on Wed Jul 05 23:06:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE