2D structurePubChem CID 176487330
Chemical identity
Sapropterin Nitroso Impurity 1
CAS not listed · C9H13N7O5
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-32465 |
|---|---|
| PubChem CID | 176487330 |
| Name | Sapropterin Nitroso Impurity 1 |
| CAS RN | Not listed |
| Molecular formula | C9H13N7O5 |
| Molecular weight | 299.2 g/mol |
| IUPAC name | (R)-2-Amino-6-((1R, 2S)-1, 2-dihydroxypropyl)-5, 8-dinitroso-5, 6, 7, 8-tetrahydropteridin-4(1H)-one |
| InChIKey | JGUCPEKGVSDVCT-RPDRRWSUSA-N |
02Structure identifiers
2D structurePubChem CID 176487330
Structure facts for this exact identity.
| Molecular formula | C9H13N7O5 |
|---|---|
| InChIKey | JGUCPEKGVSDVCT-RPDRRWSUSA-N |
| Ring count | 2 |
| Defined stereocentres | 3 |
| Unassigned stereocentres | 0 |
| SMILES | C[C@@H]([C@@H]([C@H]1CN(C2=C(N1N=O)C(=O)NC(=N2)N)N=O)O)O |
|---|---|
| InChI | InChI=1S/C9H13N7O5/c1-3(17)6(18)4-2-15(13-20)7-5(16(4)14-21)8(19)12-9(10)11-7/h3-4,6,17-18H,2H2,1H3,(H3,10,11,12,19)/t3-,4+,6-/m0/s1 |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 | NOT FOUND IN REVIEWED ENTRIES | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | No CAS number is available for an exact comparison. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Names and relationships
Associated parent compound
Sapropterin
View API and impurity familyOther names
- Sapropterin Dinitroso Impurity 1
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 176487330
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.