Chemical identity

rac 4-Hydroxymethyl Ambrisentan

CAS 1106685-84-0 · C22H22N2O5

01Identity

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

Lazychem IDLC-26500
PubChem CID25183520
Namerac 4-Hydroxymethyl Ambrisentan
CAS RN1106685-84-0
Molecular formulaC22H22N2O5
Molecular weight394.4 g/mol
IUPAC name2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
InChIKeyPDUAYPFMBRYSNN-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 25183520
Two-dimensional chemical structure of rac 4-Hydroxymethyl Ambrisentan, CAS 1106685-84-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)CO
InChINot listed
Formula from structureC22H22N2O5
Molecular weight from structure394.4 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

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 1106685-84-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1106685-84-0 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

Ambrisentan

View API and impurity family

Other names

  • Ambrisentan 4-Hydroxymethyl Analog Racemate
  • rac 4-Hydroxymethyl Ambrisentan
  • 1106685-84-0
  • (S)-4-Hydroxymethyl Ambrisentan
  • 2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
  • 4-Hydroxy Methyl Ambrisentan
  • SCHEMBL3023829

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