Chemical identity

Hydroxy Indacaterol

CAS 1446354-19-3 · C24H28N2O4

01Identity

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

Lazychem IDLC-16712
PubChem CID118753103
NameHydroxy Indacaterol
CAS RN1446354-19-3
Molecular formulaC24H28N2O4
Molecular weight408.50 g/mol
IUPAC name5-((1R)-2-((5-ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
InChIKeyDHOVNAABCPYSTQ-HDAPZSGNSA-N

02Structure identifiers

2D structurePubChem CID 118753103
2D structure: Hydroxy Indacaterol, CAS 1446354-19-3
Structure of Hydroxy Indacaterol (CAS 1446354-19-3). LazyChem record. Source identity: PubChem CID 118753103. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H28N2O4
InChIKeyDHOVNAABCPYSTQ-HDAPZSGNSA-N
Ring count4
Defined stereocentres1
Unassigned stereocentres2
SMILESCCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)C(C)O
InChIInChI=1S/C24H28N2O4/c1-3-14-8-15-9-17(10-16(15)11-20(14)13(2)27)25-12-22(29)18-4-6-21(28)24-19(18)5-7-23(30)26-24/h4-8,11,13,17,22,25,27-29H,3,9-10,12H2,1-2H3,(H,26,30)/t13?,17?,22-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres22D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

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 Hydroxy Indacaterol, CAS 1446354-19-3
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 1446354-19-3 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 1446354-19-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Indacaterol

View API and impurity family

Other names

  • Hydroxy Indacaterol / Indacaterol Impurity 13 (Mixture of Diastereomers)
  • Indacaterol Impurity 13 (Mixture of Diastereomers)
  • 2(1H)-Quinolinone, 5-[(1R)-2-[[5-ethyl-2,3-dihydro-6-(1-hydroxyethyl)-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy
  • 5-[(1R)-2-[[5-Ethyl-2,3-dihydro-6-(1-hydroxyethyl)-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone
  • Indacaterol metabolite P26.9
  • 5-((1R)-2-((5-Ethyl-6-(1-hydroxyethyl)indan-2-yl)amino)-1-hydroxy-ethyl)-8-hydroxy-1H-quinolin-2-one
  • UNII-7WYL829GM7

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