2D structurePubChem CID 176486362
Chemical identity
N-Nitroso Bevantolol
CAS not listed · C20H26N2O5
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-21576 |
|---|---|
| PubChem CID | 176486362 |
| Name | N-Nitroso Bevantolol |
| CAS RN | Not listed |
| Molecular formula | C20H26N2O5 |
| Molecular weight | 374.4 g/mol |
| IUPAC name | N-(3,4-dimethoxyphenethyl)-N-(2-hydroxy-3-(m-tolyloxy)propyl)nitrous amide |
| InChIKey | CFSUDSBGVUFGOR-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 176486362
Structure facts for this exact identity.
| Molecular formula | C20H26N2O5 |
|---|---|
| InChIKey | CFSUDSBGVUFGOR-UHFFFAOYSA-N |
| Ring count | 2 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 1 |
| SMILES | O=NN(CCC1=CC=C(OC)C(OC)=C1)CC(O)COC2=CC=CC(C)=C2 |
|---|---|
| InChI | InChI=1S/C20H26N2O5/c1-15-5-4-6-18(11-15)27-14-17(23)13-22(21-24)10-9-16-7-8-19(25-2)20(12-16)26-3/h4-8,11-12,17,23H,9-10,13-14H2,1-3H3 |
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 | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | No CAS number is available for an exact comparison. 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
Bevantolol
View API and impurity familyOther names
No synonyms are listed.
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 176486362
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.