Chemical identity

Iso Propranolol / 2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol

CAS 27827-19-6 · C16H21NO2

01Identity

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

Lazychem IDLC-17508
PubChem CID20471579
NameIso Propranolol / 2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol
CAS RN27827-19-6
Molecular formulaC16H21NO2
Molecular weight259.35 g/mol
IUPAC name2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol
InChIKeyQCHHRTIQDOHXPB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 20471579
2D structure: Iso Propranolol / 2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol, CAS 27827-19-6
Structure of Iso Propranolol / 2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol (CAS 27827-19-6). LazyChem record. Source identity: PubChem CID 20471579. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H21NO2
InChIKeyQCHHRTIQDOHXPB-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(C)NC(CO)COC1=CC=CC2=CC=CC=C21
InChIInChI=1S/C16H21NO2/c1-12(2)17-14(10-18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3

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

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 Iso Propranolol / 2-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol, CAS 27827-19-6
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 27827-19-6 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 27827-19-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Propranolol

View API and impurity family

Other names

  • Iso Propranolol
  • 2-Isopropylamino-3-(1-naphthoxy)-1-propanol
  • 2-(isopropylamino)-3-(naphthalen-1-yloxy)propan-1-ol
  • 1-Propanol, 2-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-
  • 2-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-1-propanol

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