Chemical identity

Z8S56JT4LB

CAS 2295862-29-0 · C30H26Cl2N2O7S

01Identity

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

Lazychem IDLC-18739
PubChem CID135001697
NameZ8S56JT4LB
CAS RN2295862-29-0
Molecular formulaC30H26Cl2N2O7S
Molecular weight629.51 g/mol
IUPAC namemethyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
InChIKeyXZMRMQMDMACEHK-DEOSSOPVSA-N

02Structure identifiers

2D structurePubChem CID 135001697
Two-dimensional chemical structure of Z8S56JT4LB, CAS 2295862-29-0
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)[C@H](CC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl
InChINot listed
Formula from structureC30H26Cl2N2O7S
Molecular weight from structure629.51 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 2295862-29-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2295862-29-0 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

Lifitegrast

View API and impurity family

Other names

  • Lifitegrast Impurity 13
  • methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
  • 2295862-29-0
  • Z8S56JT4LB
  • SCHEMBL20833718
  • (S)-methyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
  • L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, methyl ester
  • Methyl (S)-2-{2-[(1-benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolylcarbonylamino}-3-(m-mesylphenyl)propionate
  • Methyl (S)-2-{2-[(1-benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinol-6-ylcarbonylamino}-3-(3-mesylphenyl)propionate
  • N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine 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