Chemical identity

Adefovir Dipivoxyl Impurity I / Adefovir Dipivoxyl N6-Hydroxymethyl Impurity

CAS 323201-04-3 · C21H34N5O9P

01Identity

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

Lazychem IDLC-05051
PubChem CID58409476
NameAdefovir Dipivoxyl Impurity I / Adefovir Dipivoxyl N6-Hydroxymethyl Impurity
CAS RN323201-04-3
Molecular formulaC21H34N5O9P
Molecular weight531.51 g/mol
IUPAC name((((2-(6-((hydroxymethyl)amino)-9H-purin-9-yl)ethoxy)methyl)phosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate)
InChIKeyYJHTYKJKQVFIIC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 58409476
2D structure: Adefovir Dipivoxyl Impurity I / Adefovir Dipivoxyl N6-Hydroxymethyl Impurity, CAS 323201-04-3
Structure of Adefovir Dipivoxyl Impurity I / Adefovir Dipivoxyl N6-Hydroxymethyl Impurity (CAS 323201-04-3). LazyChem record. Source identity: PubChem CID 58409476. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H34N5O9P
InChIKeyYJHTYKJKQVFIIC-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESO=P(OCOC(C(C)(C)C)=O)(OCOC(C(C)(C)C)=O)COCCN1C=NC2=C(NCO)N=CN=C12
InChIInChI=1S/C21H34N5O9P/c1-20(2,3)18(28)32-12-34-36(30,35-13-33-19(29)21(4,5)6)14-31-8-7-26-10-24-15-16(25-11-27)22-9-23-17(15)26/h9-10,27H,7-8,11-14H2,1-6H3,(H,22,23,25)

03Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Adefovir Dipivoxyl Impurity I / Adefovir Dipivoxyl N6-Hydroxymethyl Impurity, CAS 323201-04-3
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 323201-04-3 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 323201-04-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Adefovir

View API and impurity family

Other names

  • Adefovir Dipivoxyl Impurity I
  • Adefovir Dipivoxyl N6-Hydroxymethyl Impurity

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