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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N4O.Cl.ClH
Molecular Weight 331.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRITHIAMINE CHLORIDE HYDROCHLORIDE

SMILES

Cl.[Cl-].CC1=NC=C(C[N+]2=CC=CC(CCO)=C2C)C(N)=N1

InChI

InChIKey=HUXWMCOQRQYCKH-UHFFFAOYSA-M
InChI=1S/C14H19N4O.2ClH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H18N4O
Molecular Weight 258.3189
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
53WA8IRP4O
Record Status Validated (UNII)
Record Version