Chemical identity

Arbidol Sulfate

CAS 1443454-70-3 · C22H25BrN2O6S2

01Identity

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

Lazychem IDLC-06678
PubChem CID169447623
NameArbidol Sulfate
CAS RN1443454-70-3
Molecular formulaC22H25BrN2O6S2
Molecular weight557.47 g/mol
IUPAC nameethyl 6-bromo-4-((dimethylamino)methyl)-1-methyl-2-((phenylthio)methyl)-5-(sulfooxy)-1H-indole-3-carboxylate
InChIKeyNCNQOOQPJLNFPQ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 169447623
Two-dimensional chemical structure of Arbidol Sulfate, CAS 1443454-70-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites2
SMILESCCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)OS(=O)(=O)O)Br)C)CSC3=CC=CC=C3
InChINot listed
Formula from structureC22H25BrN2O6S2
Molecular weight from structure557.47 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of Arbidol Sulfate with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Arbidol Sulfate, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C21H22BrN3O7S2
Candidate SMILES
CCOC(=O)c1c(CSc2ccccc2)n(N=O)c2cc(Br)c(OS(=O)(=O)O)c(CN(C)C)c12
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C21H22BrN3O7S2
Candidate SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OS(=O)(=O)O)c(CN(C)N=O)c12

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India 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 / RCSNO EXACT MATCH FOUNDCAS 1443454-70-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1443454-70-3 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Arbidol

View API and impurity family

Other names

  • Arbidol Sulfate
  • Umifenovir Sulfate
  • 1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-1-methyl-2-[(phenylthio)methyl]-5-(sulfooxy)-, 3-ethyl ester
  • 1443454-70-3

Related records from the same parent family

06Documented 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.

07Sources