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

Details

Stereochemistry ACHIRAL
Molecular Formula 3C7H9NO6P.Fe
Molecular Weight 758.215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FERPIFOSATE

SMILES

[Fe+3].CC1=C(O)C(O)=C(COP(O)([O-])=O)C=N1.CC2=C(O)C(O)=C(COP(O)([O-])=O)C=N2.CC3=C(O)C(O)=C(COP(O)([O-])=O)C=N3

InChI

InChIKey=MEBSUUVHXPTWMA-UHFFFAOYSA-K
InChI=1S/3C7H10NO6P.Fe/c3*1-4-6(9)7(10)5(2-8-4)3-14-15(11,12)13;/h3*2,9H,3H2,1H3,(H,8,10)(H2,11,12,13);/q;;;+3/p-3

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H9NO6P
Molecular Weight 234.1232
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 10:30:45 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:45 GMT 2023
Record UNII
2C3745E16I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERPIFOSATE
Common Name English
TRIS((4,5-DIHYDROXY-6-METHYL-3-PYRIDINEMETHANOL 3-PHOSPHATO)(3-)-O SUP(3),O SUP(3),O SUP(5))FERRATE(6-)
Common Name English
FERRATE(9-), TRIS(MONO((4,5-DIHYDROXY-6-METHYL-3-PYRIDINYL)METHYL) PHOSPHATO(4-))-, NONAHYDROGEN
Systematic Name English
Code System Code Type Description
FDA UNII
2C3745E16I
Created by admin on Sat Dec 16 10:30:46 GMT 2023 , Edited by admin on Sat Dec 16 10:30:46 GMT 2023
PRIMARY
PUBCHEM
118796468
Created by admin on Sat Dec 16 10:30:46 GMT 2023 , Edited by admin on Sat Dec 16 10:30:46 GMT 2023
PRIMARY
CAS
138708-31-3
Created by admin on Sat Dec 16 10:30:46 GMT 2023 , Edited by admin on Sat Dec 16 10:30:46 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY