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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24N4O3
Molecular Weight 344.4082
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAXIFYLLINE

SMILES

CCCN1C2=C(NC(=N2)[C@H]3C[C@H]4C[C@@H]3[C@@H]5O[C@H]45)C(=O)N(CCC)C1=O

InChI

InChIKey=OQCJPFYWFGUHIN-GJKBLCTNSA-N
InChI=1S/C18H24N4O3/c1-3-5-21-16-12(17(23)22(6-4-2)18(21)24)19-15(20-16)11-8-9-7-10(11)14-13(9)25-14/h9-11,13-14H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11+,13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24N4O3
Molecular Weight 344.4082
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:57:46 UTC 2023
Record UNII
B3G45WC37L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NAXIFYLLINE
INN   USAN  
INN   USAN  
Official Name English
CVT-124
Code English
naxifylline [INN]
Common Name English
NAXIFYLLINE [USAN]
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(3-OXATRICYCLO(3.2.1.0(SUP 2,4))OCT-6-YL)-1,3-DIPROPYL-, (1S-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,6.ALPHA.))-
Systematic Name English
BG-9719
Code English
BG9719
Code English
8-[(2S,5,6-exo)-5,6-epoxy-2-norbonyl]-1,3-dipropylxanthine
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C78322
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
Code System Code Type Description
SMS_ID
300000034325
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107805
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
CAS
166374-49-8
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
FDA UNII
B3G45WC37L
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
DRUG BANK
DB06471
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
USAN
LL-32
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
NCI_THESAURUS
C83991
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
INN
8152
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
PUBCHEM
9841075
Created by admin on Fri Dec 15 15:57:46 UTC 2023 , Edited by admin on Fri Dec 15 15:57:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY