Chemical identity

(1R,2S)-2-(2,3-Difluorophenyl)cyclopropanamine/ Ticagrelor Related Compound 94

CAS 1427524-53-5 · C9H9F2N

01Identity

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

Lazychem IDLC-00069
PubChem CID89437023
Name(1R,2S)-2-(2,3-Difluorophenyl)cyclopropanamine/ Ticagrelor Related Compound 94
CAS RN1427524-53-5
Molecular formulaC9H9F2N
Molecular weight169.17 g/mol
IUPAC name(1R,2S)-2-(2,3-difluorophenyl)cyclopropan-1-amine
InChIKeyMCABSRDMAUTFDE-POYBYMJQSA-N

02Structure identifiers

2D structurePubChem CID 89437023
Two-dimensional chemical structure of (1R,2S)-2-(2,3-Difluorophenyl)cyclopropanamine/ Ticagrelor Related Compound 94, CAS 1427524-53-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H]([C@@H]1N)C2=C(C(=CC=C2)F)F
InChINot listed
Formula from structureC9H9F2N
Molecular weight from structure169.17 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

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 1427524-53-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1427524-53-5 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

Ticagrelor

View API and impurity family

Other names

  • Ticagrelor Related Compound 94
  • (1R, 2S)-2-(2, 3-Difluorophenyl)cyclopropanamine
  • (1R,2S)-2-(2,3-Difluorophenyl)cyclopropan-1-amine
  • 1427524-53-5
  • rac-(1R,2S)-2-(2,3-difluorophenyl)cyclopropan-1-amine
  • 1808069-19-3
  • Ticagrelor Impurity 57
  • GX33PTU9HL
  • CHEMBL4522769
  • SCHEMBL14774665
  • AKOS026743710
  • EN300-196996

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