Chemical identity

Nelarabine Impurity 1

CAS 1173825-84-7 · C32H27Cl6N5O5

01Identity

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

Lazychem IDLC-23216
PubChem CID176488242
NameNelarabine Impurity 1
CAS RN1173825-84-7
Molecular formulaC32H27Cl6N5O5
Molecular weight774.30 g/mol
IUPAC name9-((2R,3S,4R,5R)-3,4-bis((2,4-dichlorobenzyl)oxy)-5-(((2,4-dichlorobenzyl)oxy)methyl)tetrahydrofuran-2-yl)-6-methoxy-9H-purin-2-amine
InChIKeyQRDUAMOQXATAAC-IIHCQYLKSA-N

02Structure identifiers

2D structurePubChem CID 176488242
Two-dimensional chemical structure of Nelarabine Impurity 1, CAS 1173825-84-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count6
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)COCC4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)OCC6=C(C=C(C=C6)Cl)Cl)N
InChINot listed
Formula from structureC32H27Cl6N5O5
Molecular weight from structure774.30 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 1173825-84-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1173825-84-7 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

Nelarabine

View API and impurity family

Other names

  • 9-[(2R,3S,4R,5R)-3,4-bis[(2,4-dichlorophenyl)methoxy]-5-[(2,4-dichlorophenyl)methoxymethyl]oxolan-2-yl]-6-methoxypurin-2-amine
  • 1173825-84-7
  • 9-((2R,3S,4R,5R)-3,4-bis((2,4-dichlorobenzyl)oxy)-5-(((2,4-dichlorobenzyl)oxy)methyl)tetrahydrofuran-2-yl)-6-methoxy-9H-purin-2-amine

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