2D structurePubChem CID 70855893
Chemical identity
Argatroban Impurity 131
CAS not listed · C20H36N6O7
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-38627 |
|---|---|
| PubChem CID | 70855893 |
| Name | Argatroban Impurity 131 |
| CAS RN | Not listed |
| Molecular formula | C20H36N6O7 |
| Molecular weight | 472.5 g/mol |
| IUPAC name | ethyl (2S,4S)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate |
| InChIKey | IXUJSLMIDVNADJ-KKUMJFAQSA-N |
02Structure identifiers
2D structurePubChem CID 70855893
The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres, contains an N-nitroso substructure, contains a nitro substructure. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 1 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | CCOC(=O)[C@@H]1C[C@H](CCN1C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)OC(C)(C)C)C |
|---|---|
| InChI | Not listed |
| Formula from structure | C20H36N6O7 |
| Molecular weight from structure | 472.5 g/mol |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
2 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 70855894
(2R-(1(S),2alpha,4beta))-1-(2-(((1,1-Dimethylethoxy)carbonyl)amino)-5-((imino(nitroamino)methyl)amino)-1-oxopentyl)-4-methyl-2-piperidinecarboxylic acid ethyl ester
CAS not listed
IXUJSLMIDVNADJ-QLFBSQMISA-N
3 defined, 0 unassigned centres
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 70855893
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.