Chemical identity

Tadalafil Chloroacetyl Impurity

CAS 171489-59-1 · C22H19ClN2O5

01Identity

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

Lazychem IDLC-28733
PubChem CID10873617
NameTadalafil Chloroacetyl Impurity
CAS RN171489-59-1
Molecular formulaC22H19ClN2O5
Molecular weight426.85 g/mol
IUPAC name(1R,3R)-Methyl-1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2, 3, 4, 9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate)
InChIKeyJUKHNCNDFOAFLT-IIBYNOLFSA-N

02Structure identifiers

2D structurePubChem CID 10873617
Two-dimensional chemical structure of Tadalafil Chloroacetyl Impurity, CAS 171489-59-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC(=O)[C@H]1CC2=C([C@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25
InChINot listed
Formula from structureC22H19ClN2O5
Molecular weight from structure426.85 g/mol

03Stereochemistry

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

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

Published same-connectivity configurations

5 records

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.

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 171489-59-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 171489-59-1 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

Tadalafil

View API and impurity family

Other names

  • Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
  • (1r,3r)-methyl1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9h-pyrido[3,4-b]indole-3-carboxylate

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