2D structurePubChem CID 29971054
Chemical identity
N-Acetyl Serotonin β-D-Glucuronide
CAS 18430-06-3 · C18H22N2O8
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-21016 |
|---|---|
| PubChem CID | 29971054 |
| Name | N-Acetyl Serotonin β-D-Glucuronide |
| CAS RN | 18430-06-3 |
| Molecular formula | C18H22N2O8 |
| Molecular weight | 394.38 g/mol |
| IUPAC name | 3-[2-(Acetylamino)ethyl]-1H-indol-5-yl-β-D-glucopyranosiduronic Acid |
| InChIKey | DRKQFNYKSNWOTC-RNGZQALNSA-N |
02Structure identifiers
2D structurePubChem CID 29971054
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. 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)NCCC1=CNC2=C1C=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
|---|---|
| InChI | Not listed |
| Formula from structure | C18H22N2O8 |
| Molecular weight from structure | 394.38 g/mol |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
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.
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 | CAS 18430-06-3 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 18430-06-3 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. |
- 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
Serotonin
View API and impurity familyOther names
- (2S, 3S, 4S, 5R, 6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3, 4, 5-trihydroxyoxane-2-carboxylic acid
- BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(2-(ACETYLAMINO)ETHYL)-1H-INDOL-5-YL
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 29971054
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.