2D structurePubChem CID 172990013
Chemical identity
N-Nitroso-N-Methyl-Valaciclovir
CAS not listed · C14H21N7O5
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-22666 |
|---|---|
| PubChem CID | 172990013 |
| Name | N-Nitroso-N-Methyl-Valaciclovir |
| CAS RN | Not listed |
| Molecular formula | C14H21N7O5 |
| Molecular weight | 367.36 g/mol |
| IUPAC name | (S)-2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 3-methyl-2-(methyl(nitroso)amino)butanoate |
| InChIKey | KWLJFZBHRZIXAY-JTQLQIEISA-N |
02Structure identifiers
2D structurePubChem CID 172990013
Structure facts for this exact identity.
| Molecular formula | C14H21N7O5 |
|---|---|
| InChIKey | KWLJFZBHRZIXAY-JTQLQIEISA-N |
| Ring count | 2 |
| Defined stereocentres | 1 |
| Unassigned stereocentres | 0 |
| SMILES | CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N(C)N=O |
|---|---|
| InChI | InChI=1S/C14H21N7O5/c1-8(2)10(20(3)19-24)13(23)26-5-4-25-7-21-6-16-9-11(21)17-14(15)18-12(9)22/h6,8,10H,4-5,7H2,1-3H3,(H3,15,17,18,22)/t10-/m0/s1 |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.
Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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
Valaciclovir
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 172990013
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.