Chemical identity

2-Ethyl-2-(1-trityl-1H-imidazol-4-yl)-2,3-dihydro-1H-indene-1,3-diol

CAS 2581300-47-0 · C33H30N2O2

01Identity

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

Lazychem IDLC-06940
PubChem CID177807329
Name2-Ethyl-2-(1-trityl-1H-imidazol-4-yl)-2,3-dihydro-1H-indene-1,3-diol
CAS RN2581300-47-0
Molecular formulaC33H30N2O2
Molecular weight486.6 g/mol
IUPAC name2-Ethyl-2-(1-trityl-1H-imidazol-4-yl)-2,3-dihydro-1H-indene-1,3-diol
InChIKeyPXKKCGBZYYGCMW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 177807329
Two-dimensional chemical structure of 2-Ethyl-2-(1-trityl-1H-imidazol-4-yl)-2,3-dihydro-1H-indene-1,3-diol, CAS 2581300-47-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESOC1C(C2=CN(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=N2)(CC)C(O)C6=C1C=CC=C6
InChINot listed
Formula from structureC33H30N2O2
Molecular weight from structure486.6 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 2581300-47-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2581300-47-0 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

Atipamezole

View API and impurity family

Other names

  • Atipamezole Impurity 3

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