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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N4O.Br
Molecular Weight 339.231
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRITHIAMINE BROMIDE

SMILES

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

InChI

InChIKey=GUWSQVZFXHIGLN-UHFFFAOYSA-M
InChI=1S/C14H19N4O.BrH/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);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 Sat Dec 16 10:42:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:42:39 GMT 2023
Record UNII
6P6JC2S26Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRITHIAMINE BROMIDE
Common Name English
HETEROVITAMIN B1
Common Name English
PYRIDINIUM, 1-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-3-(2-HYDROXYETHYL)-2-METHYL-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
616-92-2
Created by admin on Sat Dec 16 10:42:39 GMT 2023 , Edited by admin on Sat Dec 16 10:42:39 GMT 2023
PRIMARY
FDA UNII
6P6JC2S26Y
Created by admin on Sat Dec 16 10:42:39 GMT 2023 , Edited by admin on Sat Dec 16 10:42:39 GMT 2023
PRIMARY
PUBCHEM
5460202
Created by admin on Sat Dec 16 10:42:39 GMT 2023 , Edited by admin on Sat Dec 16 10:42:39 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY