2D structurePubChem CID 128612
Chemical identity
Propranolol N-Oxide
CAS 84418-31-5 · C16H21NO3
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-26211 |
|---|---|
| PubChem CID | 128612 |
| Name | Propranolol N-Oxide |
| CAS RN | 84418-31-5 |
| Molecular formula | C16H21NO3 |
| Molecular weight | 275.34 g/mol |
| IUPAC name | 1-(hydroxy(isopropyl)amino)-3-(naphthalen-1-yloxy)propan-2-ol |
| InChIKey | VVODPHQSQSFBAF-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 128612
Structure facts for this exact identity.
| Molecular formula | C16H21NO3 |
|---|---|
| InChIKey | VVODPHQSQSFBAF-UHFFFAOYSA-N |
| Ring count | 2 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 1 |
| SMILES | ON(CC(O)COC1=CC=CC=2C=CC=CC12)C(C)C |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-12(2)17(19)10-14(18)11-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,18-19H,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 recordThese 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 / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 84418-31-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 84418-31-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Names and relationships
Associated parent compound
Propranolol
View API and impurity familyOther names
- 1-[Hydroxy(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol
- 2-Propanol, 1-[hydroxy(1-methylethyl)amino]-3-(1-naphthalenyloxy)-
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
- S01PubChem compound record, CID 128612
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.