Chemical identity

Montelukast Methyl Ester/ Montelukast Acid Methyl Ester

CAS 855473-51-7 · C36H38ClNO3S

01Identity

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

Lazychem IDLC-20618
PubChem CID66718693
NameMontelukast Methyl Ester/ Montelukast Acid Methyl Ester
CAS RN855473-51-7
Molecular formulaC36H38ClNO3S
Molecular weight600.21 g/mol
IUPAC name1-[[[1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl] cyclopropaneacetic acid methyl ester
InChIKeyMAWSFAVEWJQZKH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 66718693
Two-dimensional chemical structure of Montelukast Methyl Ester/ Montelukast Acid Methyl Ester, CAS 855473-51-7
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)OC)O
InChINot listed
Formula from structureC36H38ClNO3S
Molecular weight from structure600.21 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 855473-51-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 855473-51-7 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

Montelukast

View API and impurity family

Other names

  • Montelukast Acid Methyl Ester
  • Montelukast Methyl Ester

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