Chemical identity

Ganciclovir Bis-Valine Ester / Valganciclovir Related compound F

CAS 130914-71-5 · C19H31N7O6

01Identity

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

Lazychem IDLC-16057
PubChem CID135465377
NameGanciclovir Bis-Valine Ester / Valganciclovir Related compound F
CAS RN130914-71-5
Molecular formulaC19H31N7O6
Molecular weight453.49 g/mol
IUPAC name2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-1,3-bis[(S)-2-amino-3-methylbutyryl]propane
InChIKeyGXSWPZOKTKSGEB-STQMWFEESA-N

02Structure identifiers

2D structurePubChem CID 135465377
2D structure: Ganciclovir Bis-Valine Ester / Valganciclovir Related compound F, CAS 130914-71-5
Structure of Ganciclovir Bis-Valine Ester / Valganciclovir Related compound F (CAS 130914-71-5). LazyChem record. Source identity: PubChem CID 135465377. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H31N7O6
InChIKeyGXSWPZOKTKSGEB-STQMWFEESA-N
Ring count2
Defined stereocentres2
Unassigned stereocentres0
SMILESCC(C)[C@@H](C(=O)OCC(COC(=O)[C@H](C(C)C)N)OCN1C=NC2=C1N=C(NC2=O)N)N
InChIInChI=1S/C19H31N7O6/c1-9(2)12(20)17(28)30-5-11(6-31-18(29)13(21)10(3)4)32-8-26-7-23-14-15(26)24-19(22)25-16(14)27/h7,9-13H,5-6,8,20-21H2,1-4H3,(H3,22,24,25,27)/t12-,13-/m0/s1

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 130914-71-5 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 130914-71-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Valganciclovir; Ganciclovir

View API and impurity family

Other names

  • Ganciclovir Bis-Valine Ester / Valganciclovir Related Compund F
  • Ganciclovir Bis-Valine Ester
  • Valganciclovir Related compound F
  • L-Valine, 2-[(2-amino-1, 6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-1, 3-propanediyl Ester Trifluoroacetic Acid Salt
  • Ganciclovir Impurity F Trifluoroacetic Acid Salt
  • Bis(L-Valine) Ester Ganciclovir TFA Salt
  • [3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methylbutanoate
  • Bis(L-Valine) Ester Ganciclovir Trifluoroacetic Acid Salt
  • GCV-Val diester
  • [3-[(2S)-2-Amino-3-methyl-butanoyl]oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]propyl] (2S)-2-amino-3-methyl-butanoate

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