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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(N)=C(C[N+]2=CC=CC(CCO)=C2C)C=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 C14H18N4O
Molecular Weight 258.3189
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 03:19:04 UTC 2023
Edited
by admin
on Sat Dec 16 03:19:04 UTC 2023
Record UNII
53WA8IRP4O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIAMINE CHLORIDE HYDROCHLORIDE
MI  
Common Name English
PYRIDINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYL-, CHLORIDE, MONOHYDROCHLORIDE
Common Name English
PYRIDINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYL-, CHLORIDE, HYDROCHLORIDE (1:1:1)
Systematic Name English
PYRITHIAMINE CHLORIDE HYDROCHLORIDE [MI]
Common Name English
2-PICOLINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-, CHLORIDE, HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
53WA8IRP4O
Created by admin on Sat Dec 16 03:19:04 UTC 2023 , Edited by admin on Sat Dec 16 03:19:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID20203950
Created by admin on Sat Dec 16 03:19:04 UTC 2023 , Edited by admin on Sat Dec 16 03:19:04 UTC 2023
PRIMARY
PUBCHEM
71586765
Created by admin on Sat Dec 16 03:19:04 UTC 2023 , Edited by admin on Sat Dec 16 03:19:04 UTC 2023
PRIMARY
MERCK INDEX
m9375
Created by admin on Sat Dec 16 03:19:04 UTC 2023 , Edited by admin on Sat Dec 16 03:19:04 UTC 2023
PRIMARY Merck Index
CAS
554-33-6
Created by admin on Sat Dec 16 03:19:04 UTC 2023 , Edited by admin on Sat Dec 16 03:19:04 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY