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Details

Stereochemistry ACHIRAL
Molecular Formula C13H21N5O2.C12H10O6
Molecular Weight 529.5423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METESCUFYLLINE

SMILES

CC1=CC(=O)OC2=C1C=C(OCC(O)=O)C(O)=C2.CCN(CC)CCN3C=NC4=C3C(=O)N(C)C(=O)N4C

InChI

InChIKey=UEIODQNTKDNZDV-UHFFFAOYSA-N
InChI=1S/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)

HIDE SMILES / InChI
Molecular Formula C12H10O6
Molecular Weight 250.2042
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C13H21N5O2
Molecular Weight 279.3381
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:07:58 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:58 GMT 2025
Record UNII
I542T3H3T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METESCUFYLLINE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
METESCUFYLLINE [MI]
Preferred Name English
Metescufylline [WHO-DD]
Common Name English
METESCUFYLLINE [MART.]
Common Name English
7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE ((7-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-6-YL)OXY)ACETATE
Systematic Name English
metescufylline [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C744
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
NCI_THESAURUS C319
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
Code System Code Type Description
CAS
15518-82-8
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
SMS_ID
100000081203
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
PUBCHEM
5464309
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
NCI_THESAURUS
C66109
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
MERCK INDEX
m324
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID80165848
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
239-550-3
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
EVMPD
SUB08826MIG
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
FDA UNII
I542T3H3T2
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
INN
1814
Created by admin on Mon Mar 31 18:07:58 GMT 2025 , Edited by admin on Mon Mar 31 18:07:58 GMT 2025
PRIMARY
Related Record Type Details
Structure of ETAMIPHYLLIN
PARENT -> SALT/SOLVATE
Structure of METESCULETOL
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of ETAMIPHYLLIN
ACTIVE MOIETY
Structure of METESCULETOL
ACTIVE MOIETY
NIH
NCATS
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