Chemical identity
CAS 1546983-27-0 · C49H66N10O10S3
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-23901 |
|---|---|
| PubChem CID | 176480300 |
| Name | Octreotide EP Impurity E/ / D-Phenylalanyl-S-sulfanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threoninol cyclic (2 → 7)-trisulfide |
| CAS RN | 1546983-27-0 |
| Molecular formula | C49H66N10O10S3 |
| Molecular weight | 1051.3 g/mol |
| IUPAC name | (5R,8S,11S,14R,17S,20R)-14-((1H-indol-3-yl)methyl)-20-((R)-2-amino-3-phenylpropanamido)-11-(4-aminobutyl)-17-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-8-((R)-1-hydroxyethyl)-7,10,13,16,19-pentaoxo-1,2,3-trithia-6,9,12,15,18-pentaazacyclohenicosane-5-carboxamide |
| InChIKey | WNMISJOLPBDMKV-OULOTJBUSA-N |
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 10 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O |
|---|---|
| InChI | Not listed |
| Formula from structure | C49H66N10O10S3 |
| Molecular weight from structure | 1051.3 g/mol |
The published structure contains 10 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 1546983-27-0
WNMISJOLPBDMKV-OULOTJBUSA-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 1546983-27-0 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 1546983-27-0 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. |
Octreotide
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.
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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.