Chemical identity

(S)-4-Hydroxymethyl Ambrisentan

CAS 1106685-66-8 · C22H22N2O5

01Identity

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

Lazychem IDLC-00814
PubChem CID25183815
Name(S)-4-Hydroxymethyl Ambrisentan
CAS RN1106685-66-8
Molecular formulaC22H22N2O5
Molecular weight394.42 g/mol
IUPAC name(+)-(2S)-2-[(6-Methyl-4-hydroxymethyl-pyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenyl propanoic acid
InChIKeyPDUAYPFMBRYSNN-LJQANCHMSA-N

02Structure identifiers

2D structurePubChem CID 25183815
Two-dimensional chemical structure of (S)-4-Hydroxymethyl Ambrisentan, CAS 1106685-66-8
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, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)CO
InChINot listed
Formula from structureC22H22N2O5
Molecular weight from structure394.42 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 1106685-66-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1106685-66-8 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

  • 4-Hydroxymethyl ambrisentan
  • 1106685-66-8
  • Q55T0406HK
  • Benzenepropanoic acid, alpha-((4-(hydroxymethyl)-6-methyl-2-pyrimidinyl)oxy)-beta-methoxy-beta-phenyl-, (alphaS)-
  • RefChem:99346
  • UNII-Q55T0406HK
  • (2S)-2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
  • (alphaS)-alpha-[[4-(Hydroxymethyl)-6-methyl-2-pyrimidinyl]oxy]-beta-methoxy-beta-phenylbenzenepropanoic Acid
  • SCHEMBL3023827
  • CHEMBL3706459
  • PDUAYPFMBRYSNN-LJQANCHMSA-N
  • NS00116775

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