Chemical identity

Thiamine EP Impurity A / Thiamine Chloride Sulfate Ester (Chloride Salt)

CAS 15743-04-1 · C12H17ClN4O4S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-29421
PubChem CID129318351
NameThiamine EP Impurity A / Thiamine Chloride Sulfate Ester (Chloride Salt)
CAS RN15743-04-1
Molecular formulaC12H17ClN4O4S2
Molecular weight380.87 g/mol
IUPAC name3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(sulfonatooxy)ethyl]thiazolium Chloride
InChIKeyMAAYLULZVDPJMX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 129318351
2D structure: Thiamine EP Impurity A / Thiamine Chloride Sulfate Ester (Chloride Salt), CAS 15743-04-1
Structure of Thiamine EP Impurity A / Thiamine Chloride Sulfate Ester (Chloride Salt) (CAS 15743-04-1). LazyChem record. Source identity: PubChem CID 129318351. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H17ClN4O4S2
InChIKeyMAAYLULZVDPJMX-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=S(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1)(O)=O.[Cl-]
InChIInChI=1S/C12H16N4O4S2.ClH/c1-8-11(3-4-20-22(17,18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H2-,13,14,15,17,18,19);1H

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 15743-04-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 15743-04-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Thiamine

View API and impurity family

Other names

  • Thiamine EP Impurity A (Chloride Salt)
  • Thiamine Chloride Sulfate Ester (Chloride Salt)
  • Thiamine sulfuric acid ester
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(sulfooxy)ethyl)-, chloride (1:1)

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources