Chemical identity

Trifluoperazine N-Glucuronide

CAS 165602-90-4 · C27H32F3N3O6S

01Identity

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

Lazychem IDLC-30160
PubChem CID71752653
NameTrifluoperazine N-Glucuronide
CAS RN165602-90-4
Molecular formulaC27H32F3N3O6S
Molecular weight583.62 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(1-methyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
InChIKeyAFYPHWNGUDUHIW-ARXROMJUSA-N

02Structure identifiers

2D structurePubChem CID 71752653
Two-dimensional chemical structure of Trifluoperazine N-Glucuronide, CAS 165602-90-4
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, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESC[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O
InChINot listed
Formula from structureC27H32F3N3O6S
Molecular weight from structure583.62 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 165602-90-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 165602-90-4 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

Trifluoperazine

View API and impurity family

Other names

  • 1-beta-D-Glucopyranosyluronosyl-1-methyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-ium
  • 165602-90-4
  • DTXSID60858504
  • RefChem:1055001
  • DTXCID30809245
  • Trifluoperazine N-Glucuronide
  • (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-methyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-ium-1-yl]oxane-2-carboxylate
  • Trifluoperazine N-beta-D-Glucuronide
  • Ugt1a4
  • AFYPHWNGUDUHIW-ARXROMJUSA-N
  • orb1986842
  • C27H32F3N3O6S

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