Chemical identity

Montelukast EP Impurity H / Montelukast Methoxycarbonyl Analog

CAS 851755-56-1 · C34H32ClNO4S

01Identity

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

Lazychem IDLC-20613
PubChem CID11556341
NameMontelukast EP Impurity H / Montelukast Methoxycarbonyl Analog
CAS RN851755-56-1
Molecular formulaC34H32ClNO4S
Molecular weight586.14 g/mol
IUPAC name[1-[[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(methoxycarbonyl)phenyl]propyl]sulfanyl]methyl]cyclopropyl]acetic acid
InChIKeyFVMXWBDOMBDOJN-JLBZDQGGSA-N

02Structure identifiers

2D structurePubChem CID 11556341
Two-dimensional chemical structure of Montelukast EP Impurity H / Montelukast Methoxycarbonyl Analog, CAS 851755-56-1
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC(=O)C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O
InChINot listed
Formula from structureC34H32ClNO4S
Molecular weight from structure586.14 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 851755-56-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 851755-56-1 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

Montelukast

View API and impurity family

Other names

  • Montelukast EP Impurity H
  • Montelukast Methoxycarbonyl Analog
  • 2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast
  • (+)-Des(1-hydroxy-1-methylethyl) methycarboxy montelukast
  • 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid

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