Chemical identity

Phenylephrine Related Compound F (Free Base)

CAS 57236-57-4 · C10H13NO2

01Identity

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

Lazychem IDLC-25153
PubChem CID92469131
NamePhenylephrine Related Compound F (Free Base)
CAS RN57236-57-4
Molecular formulaC10H13NO2
Molecular weight179.22 g/mol
IUPAC name(R)-2-methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
InChIKeyBVGIYKRHRXZGIO-JTQLQIEISA-N

02Structure identifiers

2D structurePubChem CID 92469131
2D structure: Phenylephrine Related Compound F (Free Base), CAS 57236-57-4
Structure of Phenylephrine Related Compound F (Free Base) (CAS 57236-57-4). LazyChem record. Source identity: PubChem CID 92469131. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H13NO2
InChIKeyBVGIYKRHRXZGIO-JTQLQIEISA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres0
SMILESCN1C[C@@H](C2=C(C1)C(=CC=C2)O)O
InChIInChI=1S/C10H13NO2/c1-11-5-8-7(10(13)6-11)3-2-4-9(8)12/h2-4,10,12-13H,5-6H2,1H3/t10-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Phenylephrine Related Compound F (Free Base), CAS 57236-57-4
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 57236-57-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 57236-57-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Phenylephrine

View API and impurity family

Other names

  • Phenylephrine Related Compound F (Free Base) / Phenylephrine Impurity 33
  • Phenylephrine Impurity 33
  • (R)-2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,8-diol
  • Phenylephrine Impurity 6

Related records from the same parent family

07Documented 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.

08Sources