2D structurePubChem CID 3413551
N-(2-Deoxy-α,-β-D-glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine
CAS 188849-82-3
MPJKBQQBYUJGPA-UHFFFAOYSA-N
Current configuration
Chemical identity
N-(2-Deoxy-α,-β-D-glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine
CAS 188849-82-3 · C13H23N3O8S
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-20870 |
|---|---|
| PubChem CID | 3413551 |
| Name | N-(2-Deoxy-α,-β-D-glucopyranosyl)-S-nitroso-N-acetyl-D,L-penicillamine |
| CAS RN | 188849-82-3 |
| Molecular formula | C13H23N3O8S |
| Molecular weight | 381.40 g/mol |
| IUPAC name | 2-acetamido-3-methyl-3-nitrososulfanyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide |
| InChIKey | MPJKBQQBYUJGPA-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 3413551
The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Unassigned stereocentres | 6 |
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | CC(SN=O)(C)C(NC(C)=O)C(NC1C(O)OC(CO)C(O)C1O)=O |
|---|---|
| InChI | Not listed |
| Formula from structure | C13H23N3O8S |
| Molecular weight from structure | 381.40 g/mol |
03Stereochemistry
The published structure contains 0 defined and 6 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres6Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 64Before 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 188849-82-3 has no exact match in the reviewed published schedule. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | CAS 188849-82-3 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
Penicillamine/ N-Nitroso
View API and impurity familyOther 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 3413551
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.