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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26FN6O6P
Molecular Weight 508.4399
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FOBREPODACIN

SMILES

CCNC(=O)NC1=NC2=CC(C3=CN=C(N=C3)C(C)(C)OP(O)(O)=O)=C(F)C([C@H]4CCCO4)=C2N1

InChI

InChIKey=COTQDURISRILOR-CQSZACIVSA-N
InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26FN6O6P
Molecular Weight 508.4399
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:33:03 GMT 2025
Edited
by admin
on Wed Apr 02 04:33:03 GMT 2025
Record UNII
1NL76YUU6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VXC-486 PHOSPHATE
Preferred Name English
FOBREPODACIN
INN  
Official Name English
fobrepodacin [INN]
Common Name English
N-ETHYL-N'-(6-FLUORO-5-(2-(1-METHYL-1-(PHOSPHONOOXY)ETHYL)-5-PYRIMIDINYL)-7-((2R)-TETRAHYDRO-2-FURANYL)-1H-BENZIMIDAZOL-2-YL)UREA
Systematic Name English
SPR-720 FREE ACID
Common Name English
UREA, N-ETHYL-N'-(6-FLUORO-5-(2-(1-METHYL-1-(PHOSPHONOOXY)ETHYL)-5-PYRIMIDINYL)-7-((2R)-TETRAHYDRO-2-FURANYL)-1H-BENZIMIDAZOL-2-YL)-
Systematic Name English
Code System Code Type Description
CAS
1384984-31-9
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
SMS_ID
300000039036
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
PUBCHEM
68108988
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
INN
11650
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
FDA UNII
1NL76YUU6E
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
NCI_THESAURUS
C184916
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY