Chemical identity

rac N-Benzyl Nebivolol

CAS 929706-85-4 · C29H31F2NO4

01Identity

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

Lazychem IDLC-26509
PubChem CID11663278
Namerac N-Benzyl Nebivolol
CAS RN929706-85-4
Molecular formulaC29H31F2NO4
Molecular weight495.56 g/mol
IUPAC nameα,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
InChIKeySTEPXTPIBUXRLE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 11663278
Two-dimensional chemical structure of rac N-Benzyl Nebivolol, CAS 929706-85-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres4
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CC2=C(C=CC(=C2)F)OC1C(CN(CC3=CC=CC=C3)CC(C4CCC5=C(O4)C=CC(=C5)F)O)O
InChINot listed
Formula from structureC29H31F2NO4
Molecular weight from structure495.56 g/mol

03Stereochemistry

The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

3 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 929706-85-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 929706-85-4 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

Nebivolol

View API and impurity family

Other names

  • rac N-Benzyl Nebivolol
  • 929706-85-4
  • 2-[benzyl-[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol
  • Nebivolol Impurity 112
  • SCHEMBL2516029
  • SCHEMBL13762673
  • DTXSID60470220
  • STEPXTPIBUXRLE-UHFFFAOYSA-N
  • MFCD28898969
  • SY413510
  • 2,2'-(benzylazanediyl)bis(1-(6-fluorochroman-2-yl)ethan-1-ol)
  • 2,2 inverted exclamation mark -(Benzylazanediyl)bis[1-(6-fluorochroman-2-yl)ethanol]

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