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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N4O4
Molecular Weight 266.2533
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXOFYLLINE

SMILES

CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=HWXIGFIVGWUZAO-UHFFFAOYSA-N
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C11H14N4O4
Molecular Weight 266.2533
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:49 UTC 2023
Edited
by admin
on Fri Dec 15 18:54:49 UTC 2023
Record UNII
MPM23GMO7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXOFYLLINE
INN   MART.   MI   USAN   USP-RS   WHO-DD  
USAN   INN  
Official Name English
NSC-759645
Code English
1H-PURINE-2,6-DIONE, 7-(1,3-DIOXOLAN-2-YLMETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
DOXOFYLLINE [MART.]
Common Name English
ANSIMAR
Common Name English
DOXOFYLLINE [MI]
Common Name English
DIOXYFILLINE
Common Name English
DOXOFYLLINE [USAN]
Common Name English
DOXOPHYLLINE
Common Name English
doxofylline [INN]
Common Name English
VENTAX
Common Name English
ABC-12/3
Code English
Doxofylline [WHO-DD]
Common Name English
ABC 12/3
Code English
7-(1,3-Dioxolan-2-ylmethyl)theophylline
Systematic Name English
SYNASMA
Common Name English
Classification Tree Code System Code
WHO-VATC QR03DA11
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
FDA ORPHAN DRUG 399413
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
NCI_THESAURUS C744
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
WHO-ATC R03DA11
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID7022968
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
CAS
69975-86-6
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
SMS_ID
100000080795
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
PUBCHEM
50942
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
MERCK INDEX
m4756
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
959
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
FDA UNII
MPM23GMO7Z
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
DRUG BANK
DB09273
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
USAN
CC-71
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
INN
5156
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
NSC
759645
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
MESH
C029797
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
CHEBI
94714
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
WIKIPEDIA
DOXOFYLLINE
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
NCI_THESAURUS
C76317
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL1527608
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
ECHA (EC/EINECS)
274-239-6
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
EVMPD
SUB06390MIG
Created by admin on Fri Dec 15 18:54:49 UTC 2023 , Edited by admin on Fri Dec 15 18:54:49 UTC 2023
PRIMARY
Related Record Type Details
Structure of 2-HYDROXYETHYL 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETATE
METABOLITE -> PARENT
Structure of ACEFYLLINE
METABOLITE -> PARENT
Structure of THEOPHYLLINE ANHYDROUS
METABOLITE -> PARENT
Structure of THEOPHYLLINE-7-ACETALDEHYDE
METABOLITE -> PARENT
Structure of ETOFYLLINE
METABOLITE -> PARENT
Related Record Type Details
Structure of DOXOFYLLINE
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