Chemical identity

EN300-7447882

CAS 1643364-41-3 · C54H62N16O4

01Identity

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

Lazychem IDLC-18782
PubChem CID154871057
NameEN300-7447882
CAS RN1643364-41-3
Molecular formulaC54H62N16O4
Molecular weight999.20 g/mol
IUPAC name1,1'-(((2-Propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione)
InChIKeyLTMYFOFIZHMISH-LQFQNGICSA-N

02Structure identifiers

2D structurePubChem CID 154871057
Two-dimensional chemical structure of EN300-7447882, CAS 1643364-41-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 10 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count10
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESCCCC(CC1=NC(=NC2=CC=CC=C21)CN3C(=O)C4=C(N=C(N4CC#CC)N5CCC[C@H](C5)N)N(C3=O)C)CC6=NC(=NC7=CC=CC=C76)CN8C(=O)C9=C(N=C(N9CC#CC)N1CCC[C@H](C1)N)N(C8=O)C
InChINot listed
Formula from structureC54H62N16O4
Molecular weight from structure999.20 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

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 1643364-41-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1643364-41-3 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

Linagliptin

View API and impurity family

Other names

  • Linagliptin Dimer Impurity 6
  • 8-[(3R)-3-aminopiperidin-1-yl]-1-{[4-(2-{[2-({8-[(3R)- 3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-2 ,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}methyl)q uinazolin-4-yl]methyl}pentyl)quinazolin-2-yl]meth yl}-7-(but-2-yn-1-yl)-3-methyl-2,3,6,7-tetrahydro-1 H-purine-2 6-dione
  • 1643364-41-3
  • 1,1'-(((2-Propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione)
  • EN300-7447882
  • Z3752711268
  • (R)-1,1'-((4,4'-(2-propylpropane-1,3-diyl)bis(quinazoline-4,2-diyl))bis(methylene))bis(8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione)

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