Chemical identity

Penciclovir Monoacetate

CAS 97845-80-2 · C12H17N5O4

01Identity

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

Lazychem IDLC-24847
PubChem CID135407167
NamePenciclovir Monoacetate
CAS RN97845-80-2
Molecular formulaC12H17N5O4
Molecular weight295.29 g/mol
IUPAC name4-(2-amino-6-oxo-1H-purin-9(6H)-yl)-2-(hydroxymethyl)butyl acetate
InChIKeyUBPBRZXGEFQVAT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 135407167
2D structure: Penciclovir Monoacetate, CAS 97845-80-2
Structure of Penciclovir Monoacetate (CAS 97845-80-2). LazyChem record. Source identity: PubChem CID 135407167. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H17N5O4
InChIKeyUBPBRZXGEFQVAT-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(=O)OCC(CCN1C=NC2=C1N=C(NC2=O)N)CO
InChIInChI=1S/C12H17N5O4/c1-7(19)21-5-8(4-18)2-3-17-6-14-9-10(17)15-12(13)16-11(9)20/h6,8,18H,2-5H2,1H3,(H3,13,15,16,20)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 97845-80-2 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 97845-80-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Penciclovir

View API and impurity family

Other names

  • 4-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)butyl acetate
  • [4-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)butyl] acetate
  • Penciclovir Impurity 2
  • [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] acetate
  • G90572
  • BRL 42222
  • Mono-O-acetylpenciclovir
  • 2-[2-(2-Amino-6-oxohydropurin-9-yl)ethyl]-3-hydroxypropyl acetate

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