2D structurePubChem CID 1129903
Chemical identity
Etomidate EP Impurity B (Free Base)
CAS not listed · C13H14N2O2
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-31784 |
|---|---|
| PubChem CID | 1129903 |
| Name | Etomidate EP Impurity B (Free Base) |
| CAS RN | Not listed |
| Molecular formula | C13H14N2O2 |
| Molecular weight | 230.27 g/mol |
| IUPAC name | Methyl 1-[(1RS)-1-phenylethyl]-1H-imidazole-5-carboxylate |
| InChIKey | FHFZEKYDSVTYLL-SNVBAGLBSA-N |
02Structure identifiers
2D structurePubChem CID 1129903
Structure facts for this exact identity.
| Molecular formula | C13H14N2O2 |
|---|---|
| InChIKey | FHFZEKYDSVTYLL-SNVBAGLBSA-N |
| Ring count | 2 |
| Defined stereocentres | 1 |
| Unassigned stereocentres | 0 |
| SMILES | C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)OC |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2/h3-10H,1-2H3/t10-/m1/s1 |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.
Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact 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 21474
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
Etomidate
View API and impurity familyOther names
- Methyl 1-(?-methylbenzyl)imidazole-5-carboxylate
- Metomidate
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 1129903
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.