Chemical identity

Afacifenacin

CAS 877606-63-8 · C27H26F3N3O2

01Identity

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

Lazychem IDLC-100633
PubChem CID42647276
NameAfacifenacin
CAS RN877606-63-8
Molecular formulaC27H26F3N3O2
Molecular weight481.5 g/mol
IUPAC name(4S)-4-phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
InChIKeyIJUMFEAYOMCXAQ-VWLOTQADSA-N

02Structure identifiers

2D structurePubChem CID 42647276
Two-dimensional chemical structure of Afacifenacin, CAS 877606-63-8
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, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CN(CCC1N2[C@H](C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC(=CC=C5)OC(F)(F)F
InChINot listed
Formula from structureC27H26F3N3O2
Molecular weight from structure481.5 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

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 877606-63-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 877606-63-8 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

No parent compound is listed.

Other names

  • Afacifenacin
  • 877606-63-8
  • Afacifenacin [INN]
  • UNII-XQU62QZ74P
  • XQU62QZ74P
  • DTXSID10236616
  • NS-986
  • (4S)-4-P(2Ehenyl-3-(1-((3-(trifluoromethoxy)phenyl)methyl)piperidin-4-yl)-3,4-dihydroquinazolin-2(1h)-one
  • afacifenacina
  • afacifenacine
  • (4S)-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)PIPERIDIN-4-YL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE
  • 2(1H)-QUINAZOLINONE, 3,4-DIHYDRO-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)-4-PIPERIDINYL)-, (4S)-

Related records from the same parent family

No related records are linked by parent name.

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