Chemical identity
CAS 912917-85-2 · C29H31ClO11
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-00221 |
|---|---|
| PubChem CID | 59167842 |
| Name | (2S,3S,4R,5R,6R)-2-(3-(4-Acetoxybenzyl)-4-chlorophenyl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate / O-Pentaacetyl O-Desethyl Dapagliflozin |
| CAS RN | 912917-85-2 |
| Molecular formula | C29H31ClO11 |
| Molecular weight | 591.00 g/mol |
| IUPAC name | (2S,3S,4R,5R,6R)-2-(3-(4-acetoxybenzyl)-4-chlorophenyl)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
| InChIKey | SDZNDOYQCYOLJI-ZCCUTQAASA-N |
The parsed structure contains 3 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 | 0 |
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
|---|---|
| InChI | Not listed |
| Formula from structure | C29H31ClO11 |
| Molecular weight from structure | 591.00 g/mol |
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
CAS 912917-85-2
SDZNDOYQCYOLJI-ZCCUTQAASA-N
Current configuration
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.
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 | CAS 912917-85-2 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 912917-85-2 has no exact match in the reviewed SCOMET list. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
Empagliflozin / Dapagliflozin
View API and impurity familyDated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
Names and machine-readable chemical identity properties.
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.