Chemical identity

5-chlorhexyl chloride derived impurity

CAS 2098457-92-0 · C26H27N5O4

01Identity

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

Lazychem IDLC-06500
PubChem CID78358434
Name5-chlorhexyl chloride derived impurity
CAS RN2098457-92-0
Molecular formulaC26H27N5O4
Molecular weight473.53 g/mol
IUPAC name1-(4-methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
InChIKeyBDNVCXVQYXUHCR-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 78358434
Two-dimensional chemical structure of 5-chlorhexyl chloride derived impurity, CAS 2098457-92-0
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1CCCC(=O)N1C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)OC
InChINot listed
Formula from structureC26H27N5O4
Molecular weight from structure473.53 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

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 2098457-92-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2098457-92-0 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

Apixaban

View API and impurity family

Other names

  • Apixaban Impurity 3 / 5-chlorhexyl chloride derived impurity
  • Apixaban Impurity 3
  • 1-(4-methoxyphenyl)-6-(4-(2-methyl-6-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
  • 2098457-92-0
  • 1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
  • 1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-[4-(2-methyl-6-oxo-1-piperidinyl)phenyl]-7-oxo-
  • 2-Methyl Apixaban
  • 8SRS89L6ZQ
  • orb3181592
  • SCHEMBL28412422
  • Apixaban Impurity Bms-778960
  • CS-M2739

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