Chemical identity

3-(5-carboxypentyl)-1, 1, 2-trimethylbenzo[e]indol-3-ium bromide

CAS 171429-39-3 · C21H26NO2 : Br

01Identity

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

Lazychem IDLC-17236
PubChem CID10862344
Name3-(5-carboxypentyl)-1, 1, 2-trimethylbenzo[e]indol-3-ium bromide
CAS RN171429-39-3
Molecular formulaC21H26NO2 : Br
Molecular weight324.4 : 79.9 g/mol
IUPAC name3-(5-Carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium bromide
InChIKeyXSXHHAQBMIWSEH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10862344
Two-dimensional chemical structure of 3-(5-carboxypentyl)-1, 1, 2-trimethylbenzo[e]indol-3-ium bromide, CAS 171429-39-3
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 amines0
N-methyl amine sites0
SMILESCC1=[N+](CCCCCC(O)=O)C2=C(C3=CC=CC=C3C=C2)C1(C)C.[Br-]
InChINot listed
Formula from structureC21H26BrNO2
Molecular weight from structure404.35 g/mol

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 / RCSNO EXACT MATCH FOUNDCAS 171429-39-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 171429-39-3 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.

04Names and relationships

Associated parent compound

Indocyanine Green

View API and impurity family

Other names

  • Indocyanine Green Impurity 2
  • 3-(5-carboxypentyl)-1, 1, 2-trimethylbenzo[e]indol-3-ium bromide
  • 6-(1, 1, 2-trimethylbenzo[e]indol-3-ium-3-yl)hexanoic acid
  • bromide
  • 3-(5-Carboxypentyl)-1, 1, 2-trimethyl-1H-benz[e]indolium bromide

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