Chemical identity

Phenylephrine Isoquinoline 4, 6-diol analog

CAS 23824-24-0 · C10H13NO2

01Identity

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

Lazychem IDLC-25147
PubChem CID42158
NamePhenylephrine Isoquinoline 4, 6-diol analog
CAS RN23824-24-0
Molecular formulaC10H13NO2
Molecular weight179.22 g/mol
IUPAC name1,2,3,4-Tetrahydro-2-methyl-4,6-isoquinolinediol
InChIKeyGXNCQQCQUUCKLX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 42158
2D structure: Phenylephrine Isoquinoline 4, 6-diol analog, CAS 23824-24-0
Structure of Phenylephrine Isoquinoline 4, 6-diol analog (CAS 23824-24-0). LazyChem record. Source identity: PubChem CID 42158. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC10H13NO2
InChIKeyGXNCQQCQUUCKLX-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCN1CC(C2=C(C1)C=CC(=C2)O)O
InChIInChI=1S/C10H13NO2/c1-11-5-7-2-3-8(12)4-9(7)10(13)6-11/h2-4,10,12-13H,5-6H2,1H3

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact 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 Isoquinoline 4, 6-diol analog, CAS 23824-24-0
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 23824-24-0 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 23824-24-0 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

  • 2-Methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol
  • 1,2,3,4-Tetrahydro-4,6-dihydroxy-2-methyl-isoquinoline
  • 2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
  • Phenylephrine Impurity 11
  • FT28104

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