Chemical identity

Oxybutynin Related Compound B / Cyclohexyl mandelic acid methyl ester

CAS 10399-13-0 · C15H20O3

01Identity

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

Lazychem IDLC-24429
PubChem CID112035
NameOxybutynin Related Compound B / Cyclohexyl mandelic acid methyl ester
CAS RN10399-13-0
Molecular formulaC15H20O3
Molecular weight248.32 g/mol
IUPAC nameCyclohexyl mandelic acid methyl ester
InChIKeySPTZOODMHSABLY-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 112035
Two-dimensional chemical structure of Oxybutynin Related Compound B / Cyclohexyl mandelic acid methyl ester, CAS 10399-13-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
InChINot listed
Formula from structureC15H20O3
Molecular weight from structure248.32 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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 10399-13-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 10399-13-0 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

Oxybutynin

View API and impurity family

Other names

  • Oxybutynin Related Compound B
  • Methyl alpha-cyclohexyl-alpha-hydroxybenzeneacetate
  • 10399-13-0
  • Methyl cyclohexylphenylglycolate
  • 3B92G18V2B
  • DTXSID60864261
  • MCHPG
  • RefChem:817690
  • DTXCID80812800
  • 233-862-3
  • methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
  • Methyl alpha-cyclohexylmandelate

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