U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
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
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:58:15 GMT 2023
Edited
by admin
on Fri Dec 15 18:58:15 GMT 2023
Record UNII
23LFU6H8JD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUAITHYLLINE
USAN  
USAN  
Official Name English
guaifylline [INN]
Common Name English
GUAIFYLLINE
INN  
INN  
Official Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 3-(2-METHOXYPHENOXY-1,2-PROPANEDIOL (1:1)
Common Name English
GUAITHYLLINE [USAN]
Common Name English
1,2-PROPANEDIOL, 3-(2-METHOXYPHENOXY)-, COMPD. WITH 3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1)
Systematic Name English
ECLABRON
Brand Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 3-(2-METHOXYPHENOXY)-1,2-PROPANEDIOL (1:1)
Systematic Name English
THEOPHYLLINE, COMPD. WITH 3-(O-METHOXYPHENOXY)-1,2-PROPANEDIOL (1:1)
Common Name English
Code System Code Type Description
INN
2076
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-078-0
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
PUBCHEM
68637
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
CAS
5634-38-8
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
CAS
5696-14-0
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID90360827
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
FDA UNII
23LFU6H8JD
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
SMS_ID
100000084262
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
EVMPD
SUB07974MIG
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
NCI_THESAURUS
C175079
Created by admin on Fri Dec 15 18:58:15 GMT 2023 , Edited by admin on Fri Dec 15 18:58:15 GMT 2023
PRIMARY
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ACTIVE MOIETY