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

Details

Stereochemistry RACEMIC
Molecular Formula C8H9FN2O3.4C4H4N2O2
Molecular Weight 648.5141
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEGAFUR-URACIL

SMILES

O=C1NC=CC(=O)N1.O=C2NC=CC(=O)N2.O=C3NC=CC(=O)N3.O=C4NC=CC(=O)N4.FC5=CN(C6CCCO6)C(=O)NC5=O

InChI

InChIKey=VIPYMVHKZIESFX-UHFFFAOYSA-N
InChI=1S/C8H9FN2O3.4C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;4*7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);4*1-2H,(H2,5,6,7,8)

HIDE SMILES / InChI

Molecular Formula C8H9FN2O3
Molecular Weight 200.1671
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H4N2O2
Molecular Weight 112.0868
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:39 UTC 2023
Edited
by admin
on Sat Dec 16 08:38:39 UTC 2023
Record UNII
HMI5GR78FR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEGAFUR-URACIL
Common Name English
UFTORAL
Brand Name English
BMS-200604
Code English
(1-(2-tetrahydrofuryl)-5-fluorouracil) and uracil 1:4
Common Name English
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, mixt. with 2,4(1H,3H)-pyrimidinedione
Systematic Name English
UFUR
Brand Name English
J356.722B
Code English
YOUFUDING
Common Name English
UFT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2021
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
Code System Code Type Description
CAS
74578-38-4
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
EVMPD
SUB04712MIG
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
FDA UNII
HMI5GR78FR
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
DRUG BANK
DB09327
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
NCI_THESAURUS
C9506
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY NCIT
PUBCHEM
9895794
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID3023635
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY
DRUG CENTRAL
2577
Created by admin on Sat Dec 16 08:38:39 UTC 2023 , Edited by admin on Sat Dec 16 08:38:39 UTC 2023
PRIMARY