Chemical identity

1,2,3,4-Tetrahydro-2-[2-(4-hydroxyphenyl)-1-methylethyl]-4,6,8-isoquinolinetriol

CAS 161040-25-1 · C18H21NO4

01Identity

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

Lazychem IDLC-15169
PubChem CID102060966
Name1,2,3,4-Tetrahydro-2-[2-(4-hydroxyphenyl)-1-methylethyl]-4,6,8-isoquinolinetriol
CAS RN161040-25-1
Molecular formulaC18H21NO4
Molecular weight315.37 g/mol
IUPAC name2-(1-(4-hydroxyphenyl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4,6,8-triol
InChIKeyUKGGVIFYDPDSAG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 102060966
Two-dimensional chemical structure of 1,2,3,4-Tetrahydro-2-[2-(4-hydroxyphenyl)-1-methylethyl]-4,6,8-isoquinolinetriol, CAS 161040-25-1
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(CC1=CC=C(C=C1)O)N2CC(C3=C(C2)C(=CC(=C3)O)O)O
InChINot listed
Formula from structureC18H21NO4
Molecular weight from structure315.37 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

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 161040-25-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 161040-25-1 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

Fenoterol

View API and impurity family

Other names

  • Fenoterol Impurity 1 (Mixture of Diastereomers)
  • 1,2,3,4-Tetrahydro-2-[2-(4-hydroxyphenyl)-1-methylethyl]-4,6,8-isoquinolinetriol
  • 161040-25-1
  • Fenoterol Impurity 4
  • LGA04025

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