Chemical identity

Ruxolitinib Hydroxy Pyrimidine Impurity / Ruxolitinib N-Methanol / Ruxolitinib 7-Hydroxymethyl Impurity (R-Isomer)

CAS 1236033-03-6 · C18H20N6O

01Identity

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

Lazychem IDLC-27625
PubChem CID59420163
NameRuxolitinib Hydroxy Pyrimidine Impurity / Ruxolitinib N-Methanol / Ruxolitinib 7-Hydroxymethyl Impurity (R-Isomer)
CAS RN1236033-03-6
Molecular formulaC18H20N6O
Molecular weight336.4 g/mol
IUPAC name(R)-3-Cyclopentyl-3-(4-(7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
InChIKeyHBWPBIVFCXQPCJ-MRXNPFEDSA-N

02Structure identifiers

2D structurePubChem CID 59420163
Two-dimensional chemical structure of Ruxolitinib Hydroxy Pyrimidine Impurity / Ruxolitinib N-Methanol / Ruxolitinib 7-Hydroxymethyl Impurity (R-Isomer), CAS 1236033-03-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CN(C4=NC=N3)CO
InChINot listed
Formula from structureC18H20N6O
Molecular weight from structure336.4 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

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 1236033-03-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1236033-03-6 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

Ruxolitinib

View API and impurity family

Other names

  • Ruxolitinib Hydroxy Pyrimidine Impurity
  • Ruxolitinib N-Methanol
  • Ruxolitinib 7-Hydroxymethyl Impurity (R-Isomer)
  • 1236033-03-6
  • Ruxolitinib Impurity 4
  • (R)-3-Cyclopentyl-3-(4-(7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
  • 8JZT65KUW4
  • SCHEMBL13243682
  • SCHEMBL30300334
  • (3R)-3-cyclopentyl-3-[4-[7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
  • (betaR)-beta-Cyclopentyl-4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile
  • 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-[7-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-, (betaR)-

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