2D structurePubChem CID 168448636
Chemical identity
N-Nitroso Lansoprazole
CAS not listed · C16H13F3N4O3S
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-32151 |
|---|---|
| PubChem CID | 168448636 |
| Name | N-Nitroso Lansoprazole |
| CAS RN | Not listed |
| Molecular formula | C16H13F3N4O3S |
| Molecular weight | 398.36 g/mol |
| IUPAC name | 2-(((3-methyl-4-(2, 2, 2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1-nitroso-1H-benzo[d]imidazole |
| InChIKey | PADSBRSZQLXOJT-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 168448636
Structure facts for this exact identity.
| Molecular formula | C16H13F3N4O3S |
|---|---|
| InChIKey | PADSBRSZQLXOJT-UHFFFAOYSA-N |
| Ring count | 3 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 1 |
| SMILES | O=NN1C(S(CC2=NC=CC(OCC(F)(F)F)=C2C)=O)=NC3=CC=CC=C13 |
|---|---|
| InChI | InChI=1S/C16H13F3N4O3S/c1-10-12(20-7-6-14(10)26-9-16(17,18)19)8-27(25)15-21-11-4-2-3-5-13(11)23(15)22-24/h2-7H,8-9H2,1H3 |
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 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 176475362
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
Lansoprazole
View API and impurity familyOther names
- Lansoprazole Nitroso Impurity
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 168448636
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.