Fobrepodacin sodiumProduct ingredient for Fobrepodacin

Show full entry for Fobrepodacin

Name

Fobrepodacin sodium

Drug Entry

Fobrepodacin

Accession Number

DBSALT003449

Structure

Similar Structures

Synonyms

Sodium (R)-2-(5-(2-(3-ethylureido)-5-fluoro-4-(tetrahydrofuran-2-yl)-1H¬øbenzo[d]imidazole-6-yl)pyrimidin-2-yl)propan-2-yl hydrogen phosphate / 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 (1:1) / VXC-486 PHOSPHATE MONOSODIUM

UNII

JX82N6UWU3

CAS Number

1536471-76-7

Weight

Average: 530.429
Monoisotopic: 530.14549199

Chemical Formula

C₂₁H₂₅FN₆NaO₆P

InChI Key

LZPLFZIOJZSXGF-PFEQFJNWSA-M

InChI

InChI=1S/C21H26FN6O6P.Na/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;+1/p-1/t14-;/m1./s1

IUPAC Name

sodium 2-(5-{2-[(ethylcarbamoyl)amino]-6-fluoro-7-[(2R)-oxolan-2-yl]-1H-1,3-benzodiazol-5-yl}pyrimidin-2-yl)propan-2-yl hydrogen phosphate

SMILES

[Na+].[H][C@@]1(CCCO1)C1=C2NC(NC(=O)NCC)=NC2=CC(=C1F)C1=CN=C(N=C1)C(C)(C)OP(O)([O-])=O

External Links

ChemSpider: 81368598

Predicted Properties

Property	Value	Source
logP	0.93	Chemaxon
pKa (Strongest Acidic)	1.38	Chemaxon
pKa (Strongest Basic)	2.4	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	8	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	174.41 Å²	Chemaxon
Rotatable Bond Count	7	Chemaxon
Refractivity	123.71 m³·mol^-1	Chemaxon
Polarizability	50.37 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Fobrepodacin sodiumProduct ingredient for Fobrepodacin

Structure for Fobrepodacin sodium (DBSALT003449)