Chemical identity

Raloxifene 4'-Glucuronide

CAS 182507-22-8 · C34H35NO10S

01Identity

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

Lazychem IDLC-26642
PubChem CID9917566
NameRaloxifene 4'-Glucuronide
CAS RN182507-22-8
Molecular formulaC34H35NO10S
Molecular weight649.71 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(6-hydroxy-3-(4-(2-(piperidin-1-yl)ethoxy)benzoyl)benzo[b]thiophen-2-yl)phenoxy)tetrahydro-2H-pyran-2-carboxylic acid
InChIKeyVHXYPEXOSLGZKH-WKRHDJAJSA-N

02Structure identifiers

2D structurePubChem CID 9917566
Two-dimensional chemical structure of Raloxifene 4'-Glucuronide, CAS 182507-22-8
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, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChINot listed
Formula from structureC34H35NO10S
Molecular weight from structure649.71 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 182507-22-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 182507-22-8 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

Raloxifene

View API and impurity family

Other names

  • Raloxifene 4'-glucuronide
  • 182507-22-8
  • UNII-UZ95WFT3LZ
  • UZ95WFT3LZ
  • beta-D-Glucopyranosiduronic acid, 4-(6-hydroxy-3-(4-(2-(1-piperidinyl)ethoxy)benzoyl)benzo(b)thien-2-yl)phenyl
  • RefChem:178588
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenoxy]oxane-2-carboxylic acid
  • Raloxifene Impurity 14
  • CHEMBL176790
  • orb3132242
  • DTXSID601312492
  • RALOXIFENE 4'-D-GLUCURONIDE

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