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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N4O.Br.BrH
Molecular Weight 420.143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRITHIAMINE BROMIDE HYDROBROMIDE

SMILES

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

InChI

InChIKey=DMVBWVASDWGFNH-UHFFFAOYSA-M
InChI=1S/C14H19N4O.2BrH/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 BrH
Molecular Weight 80.912
Charge 0
Count
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
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 21:13:33 GMT 2025
Edited
by admin
on Mon Mar 31 21:13:33 GMT 2025
Record UNII
5JB3029BJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIAMINE
MI  
Preferred Name English
PYRITHIAMINE BROMIDE HYDROBROMIDE
Common Name English
NEOPYRITHIAMINE
Common Name English
NSC-400971
Code English
1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM BROMIDE HYDROBROMIDE (1:1:1)
Systematic Name English
1-(2-METHYL-4-AMINO-5-PYRIMIDYL)METHYL-2-METHYL-3-HYDROXYETHYLPYRIDINIUM BROMIDE HYDROBROMIDE
Systematic Name English
PYRITHIAMINE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
10802
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
NSC
400971
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
FDA UNII
5JB3029BJ7
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
CAS
534-64-5
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID80968058
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
MERCK INDEX
m9375
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY Merck Index
CHEBI
15797
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
MESH
D011745
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-604-8
Created by admin on Mon Mar 31 21:13:33 GMT 2025 , Edited by admin on Mon Mar 31 21:13:33 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY