Chemical identity

Dihydro Abacavir 6-Chloro Analog

CAS 2022943-79-7 · C11H14ClN5O

01Identity

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

Lazychem IDLC-04406
PubChem CID451923
NameDihydro Abacavir 6-Chloro Analog
CAS RN2022943-79-7
Molecular formulaC11H14ClN5O
Molecular weight267.72 g/mol
IUPAC name((1R,3S)-3-(2-amino-6-chloro-9H-purin-9-yl)cyclopentyl)methanol
InChIKeyDOKOPGLGDNHBAS-RQJHMYQMSA-N

02Structure identifiers

2D structurePubChem CID 451923
Two-dimensional chemical structure of Dihydro Abacavir 6-Chloro Analog, CAS 2022943-79-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C[C@@H](C[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)N
InChINot listed
Formula from structureC11H14ClN5O
Molecular weight from structure267.72 g/mol

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 2022943-79-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2022943-79-7 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

Abacavir

View API and impurity family

Other names

  • Abacavir Impurity 1/ Dihydro Abacavir 6-Chloro Analog
  • Abacavir Impurity 1
  • Dihydro Abacavir 6-Chloro Analog
  • (+-)-cis-(3-(2-Amino-6-chloro-9H-purinyl-9-yl)cyclopentyl)carbinol
  • C-6-Cl-ddG
  • 118237-86-8
  • Carbocyclic-6-chloro-2',3'-dideoxyguanosine
  • NSC 615812
  • ((1R,3S)-3-(2-Amino-6-chloro-9H-purin-9-yl)cyclopentyl)methanol
  • SCHEMBL9208537
  • rel-(1R,3S)-3-(2-Amino-6-chloro-9H-purin-9-yl)cyclopentanemethanol
  • DTXSID60152054

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