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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13FN4O2.2Na
Molecular Weight 360.2938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-112 DISODIUM

SMILES

[NaH].[NaH].OC1=CC=CC(NC2=NC(NC3=CC(O)=CC=C3)=C(F)C=N2)=C1

InChI

InChIKey=PTULPNDUGQKKCI-UHFFFAOYSA-N
InChI=1S/C16H13FN4O2.2Na.2H/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10;;;;/h1-9,22-23H,(H2,18,19,20,21);;;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 23.99771
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H13FN4O2
Molecular Weight 312.2984
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 Mon Mar 31 23:15:04 GMT 2025
Edited
by admin
on Mon Mar 31 23:15:04 GMT 2025
Record UNII
65BJP9FDE9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-112 DISODIUM
Common Name English
R-921218 DISODIUM SALT
Preferred Name English
PHENOL, 3,3'-((5-FLUORO-2,4-PYRIMIDINEDIYL)DIIMINO)BIS-, SODIUM SALT (1:2)
Systematic Name English
3-((5-FLUORO-2-(3-HYDROXYANILINO)PYRIMIDIN-4-YL)AMINO)PHENOL; SODIUM HYDRIDE
Systematic Name English
Code System Code Type Description
CAS
575476-11-8
Created by admin on Mon Mar 31 23:15:04 GMT 2025 , Edited by admin on Mon Mar 31 23:15:04 GMT 2025
PRIMARY
FDA UNII
65BJP9FDE9
Created by admin on Mon Mar 31 23:15:04 GMT 2025 , Edited by admin on Mon Mar 31 23:15:04 GMT 2025
PRIMARY