2D structurePubChem CID 130377601
Chemical identity
Empagliflozin Impurity 118
CAS not listed · C23H27ClO7
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-35332 |
|---|---|
| PubChem CID | 130377601 |
| Name | Empagliflozin Impurity 118 |
| CAS RN | Not listed |
| Molecular formula | C23H27ClO7 |
| Molecular weight | 450.9 g/mol |
| IUPAC name | (2R,3R,4R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol |
| InChIKey | RAQUDPJZAZMKRD-AGNDZSOYSA-N |
02Structure identifiers
2D structurePubChem CID 130377601
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Unassigned stereocentres | 1 |
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@@H]4[C@@H]([C@H](C(O4)[C@@H](CO)O)O)O)Cl |
|---|---|
| InChI | Not listed |
| Formula from structure | C23H27ClO7 |
| Molecular weight from structure | 450.9 g/mol |
03Stereochemistry
The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction
Published same-connectivity configurations
6 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 130383881
(2R,3R,4R,5R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-5-((R)-1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol
CAS not listed
RAQUDPJZAZMKRD-JTDQPSCISA-N
6 defined, 0 unassigned centres
2D structurePubChem CID 163202725
(2S,3R,4R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-5-((R)-1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol
CAS not listed
RAQUDPJZAZMKRD-ZJRXGUEDSA-N
5 defined, 1 unassigned centres
2D structurePubChem CID 91827928
(3R,4R)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-5-((R)-1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol
CAS not listed
RAQUDPJZAZMKRD-JVBWCYRNSA-N
4 defined, 2 unassigned centres
2D structurePubChem CID 151681634
1,4-Anhydro-1,5-dihydroxy-3'''-epi-Empagliflozin
CAS not listed
RAQUDPJZAZMKRD-KBLLOZGNSA-N
5 defined, 1 unassigned centres
2D structurePubChem CID 129011955
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 | NO EXACT MATCH FOUND | No CAS number is available for an exact comparison. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | No CAS number is available for an exact comparison. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · reviewed 2026-08-01
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · reviewed 2026-08-01
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · reviewed 2026-08-01
05Names and relationships
Associated parent compound
No parent compound is listed.
Other 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 130377601
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.