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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N4O3
Molecular Weight 278.307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOXIFYLLINE

SMILES

CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C

InChI

InChIKey=BYPFEZZEUUWMEJ-UHFFFAOYSA-N
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C13H18N4O3
Molecular Weight 278.307
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:57 UTC 2023
Edited
by admin
on Fri Dec 15 15:33:57 UTC 2023
Record UNII
SD6QCT3TSU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTOXIFYLLINE
EP   INN   JAN   MART.   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
INN   USAN  
Official Name English
PENTOXIFYLLINE [ORANGE BOOK]
Common Name English
PENTOXIFYLLINE [MART.]
Common Name English
NSC-637086
Code English
OXYPENTIFYLLINE
Common Name English
BL-191
Code English
TRENTAL
Brand Name English
PENTOXIFYLLINE [EP MONOGRAPH]
Common Name English
PENTOXIFYLLINE [VANDF]
Common Name English
PENTOXIFYLLINE [JAN]
Common Name English
PENTOXIL
Brand Name English
PENTOXIFYLLINE [USP-RS]
Common Name English
pentoxifylline [INN]
Common Name English
C04AD03
Code English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(5-OXOHEXYL)-
Systematic Name English
NSC-758481
Code English
PENTOXIPHYLLIN
Common Name English
PENTOXIFYLLINE [USP MONOGRAPH]
Common Name English
Pentoxifylline [WHO-DD]
Common Name English
PENTOXIFYLLINE [MI]
Common Name English
BL 191
Code English
1-(5-Oxohexyl)theobromine
Systematic Name English
PENTOXIFYLLINE [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 369712
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
WHO-VATC QC04AD03
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
NDF-RT N0000009065
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
NCI_THESAURUS C744
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
NCI_THESAURUS C221
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
LIVERTOX NBK548672
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
NDF-RT N0000175895
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
WHO-ATC C04AD03
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
Code System Code Type Description
NSC
637086
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
INN
3309
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
LACTMED
Pentoxifylline
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
DAILYMED
SD6QCT3TSU
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
FDA UNII
SD6QCT3TSU
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
RS_ITEM_NUM
1508901
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
MERCK INDEX
m8519
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY Merck Index
NSC
758481
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
MESH
D010431
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
CAS
6493-05-6
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
EVMPD
SUB09705MIG
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
PUBCHEM
4740
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
RXCUI
8013
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
2099
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
DRUG BANK
DB00806
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
IUPHAR
7095
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL628
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID7023437
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
NCI_THESAURUS
C733
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
WIKIPEDIA
PENTOXIFYLLINE
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
229-374-5
Created by admin on Fri Dec 15 15:33:57 UTC 2023 , Edited by admin on Fri Dec 15 15:33:57 UTC 2023
PRIMARY
SMS_ID
100000091628
Created by admin on Fri Dec 15 15:33:58 UTC 2023 , Edited by admin on Fri Dec 15 15:33:58 UTC 2023
PRIMARY
Related Record Type Details
Structure of PENTOXIFYLLINE
EXCRETED UNCHANGED
URINE
Structure of PENTOXIFYLLINE GEM-DIHYDROPEROXIDE
DEGRADENT -> PARENT
Related Record Type Details
Structure of 1-(5-KETOHEXYL)-3-METHYLXANTHINE
METABOLITE -> PARENT
Structure of LISOFYLLINE
METABOLITE ACTIVE -> PARENT
MINOR
Structure of LISOFYLLINE
PARENT -> METABOLITE ACTIVE
Structure of 1-(3-CARBOXYPROPYL)THEOBROMINE
METABOLITE ACTIVE -> PARENT
OCCURS DURING FIRST PASS METABOLISM. CONCENTRATION MAY 10x HIGHER THAN PENTOXIFYLLINE
MAJOR
PLASMA
Structure of 1-(5,6-DIHYDROXYHEXYL)-3,7-DIMETHYLXANTHINE
METABOLITE -> PARENT
Structure of LISOFYLLINE, (S)-
METABOLITE INACTIVE -> PARENT
APPEARS TO OCCUR PREDOMINANTLY IN RED BLOOD CELLS THROUGH NADPH REDUCTASE ENZYMES
MAJOR
Structure of 1-(4,5-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
METABOLITE -> PARENT
Structure of 3,7-DIMETHYL-1-(4-CARBOXYBUTYL)XANTHINE
METABOLITE -> PARENT
Structure of 1-(5-HYDROXYHEXYL)-3-METHYLXANTHINE
METABOLITE -> PARENT
Related Record Type Details
Structure of 2H-PURIN-2-ONE, 3,7-DIHYDRO-3,7-DIMETHYL-6-((5-OXOHEXYL)OXY)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 3-METHYLXANTHINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of CAFFEINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-(3-HYDROXYPROPYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3-METHYL-1,7-BIS(5-OXOHEXYL)-
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1,1-(PROPANE-1,3-DIYL)BIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1,1'-METHYLENE BIS(THEOBROMINE)
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THEOPHYLLINE ANHYDROUS
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THEOBROMINE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-BENZYL-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-((5E)-11-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)-5-METHYL-7-OXOUNDEC-5-ENYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of PENTOXIFYLLINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

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