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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24FN6O6P.2Na
Molecular Weight 552.4036
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FOBREPODACIN DISODIUM

SMILES

[Na+].[Na+].[H][C@@]1(CCCO1)C2=C3NC(NC(=O)NCC)=NC3=CC(C4=CN=C(N=C4)C(C)(C)OP([O-])([O-])=O)=C2F

InChI

InChIKey=BSOLRSNBVIVVMJ-FMOMHUKBSA-L
InChI=1S/C21H26FN6O6P.2Na/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);;/q;2*+1/p-2/t14-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C21H24FN6O6P
Molecular Weight 506.424
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 15:11:32 UTC 2023
Edited
by admin
on Sat Dec 16 15:11:32 UTC 2023
Record UNII
D7H3E9R5E1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FOBREPODACIN DISODIUM
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)-, SODIUM SALT (1:2)
Systematic Name English
VXC-486 PHOSPHATE DISODIUM
Code English
Code System Code Type Description
CAS
1384984-20-6
Created by admin on Sat Dec 16 15:11:32 UTC 2023 , Edited by admin on Sat Dec 16 15:11:32 UTC 2023
PRIMARY
PUBCHEM
71451278
Created by admin on Sat Dec 16 15:11:32 UTC 2023 , Edited by admin on Sat Dec 16 15:11:32 UTC 2023
PRIMARY
FDA UNII
D7H3E9R5E1
Created by admin on Sat Dec 16 15:11:32 UTC 2023 , Edited by admin on Sat Dec 16 15:11:32 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY