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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13ClN4.H3O4P
Molecular Weight 346.707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRIMETHAMINE PHOSPHATE

SMILES

OP(O)(O)=O.CCC1=C(C(N)=NC(N)=N1)C2=CC=C(Cl)C=C2

InChI

InChIKey=PILGLRCXWYDHSE-UHFFFAOYSA-N
InChI=1S/C12H13ClN4.H3O4P/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-5(2,3)4/h3-6H,2H2,1H3,(H4,14,15,16,17);(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H13ClN4
Molecular Weight 248.711
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 Fri Dec 15 15:22:54 UTC 2023
Edited
by admin
on Fri Dec 15 15:22:54 UTC 2023
Record UNII
A4T1033XZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRIMETHAMINE PHOSPHATE
Common Name English
PYRIMETHAMINE MONOPHOSPHATE
Common Name English
2,4-PYRIMIDINEDIAMINE, 5-(4-CHLOROPHENYL)-6-ETHYL-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
92135840
Created by admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
PRIMARY
FDA UNII
A4T1033XZA
Created by admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
PRIMARY
CAS
7681-25-6
Created by admin on Fri Dec 15 15:22:54 UTC 2023 , Edited by admin on Fri Dec 15 15:22:54 UTC 2023
PRIMARY
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