Chemical identity

Acetyl Valganciclovir (HCl Salt)

CAS 960495-42-5 · C16H25ClN6O6

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-04794
PubChem CID171390123
NameAcetyl Valganciclovir (HCl Salt)
CAS RN960495-42-5
Molecular formulaC16H25ClN6O6
Molecular weight432.86 g/mol
IUPAC name3-Acetoxy-2-((2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)propyl L-valinate hydrochloride
InChIKeyUUCQCTDPDBFLFF-GQNCZFCYSA-N

02Structure identifiers

2D structurePubChem CID 171390123
Two-dimensional chemical structure of Acetyl Valganciclovir (HCl Salt), CAS 960495-42-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)[C@@H](C(=O)OCC(COC(=O)C)OCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChINot listed
Formula from structureC16H25ClN6O6
Molecular weight from structure432.86 g/mol

03Stereochemistry

The published structure contains 1 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These 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 / RCSNO EXACT MATCH FOUNDCAS 960495-42-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 960495-42-5 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Valganciclovir

View API and impurity family

Other names

  • (2R)-3-(Acetyloxy)-2-((2-amino-6-oxo-6, 9-dihydro-3H-purin-9-yl)methoxy)propyl (2S)-2-amino-3-methylbutanoate hydrochloride
  • L-Valine, 3-(acetyloxy)-2-((2-amino-1, 6-dihydro-6-oxo-9H-purin-9-yl)methoxy)propyl ester, hydrochloride (1:1)

Related records from the same parent family

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