Chemical identity

Emtricitabine Menthyl Ester

CAS 764659-72-5 · C18H26FN3O4S

01Identity

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

Lazychem IDLC-14031
PubChem CID67426481
NameEmtricitabine Menthyl Ester
CAS RN764659-72-5
Molecular formulaC18H26FN3O4S
Molecular weight399.48 g/mol
IUPAC name(2R,5S)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
InChIKeyAUTCQXVTOIJYOT-URSAWGJDSA-N

02Structure identifiers

2D structurePubChem CID 67426481
Two-dimensional chemical structure of Emtricitabine Menthyl Ester, CAS 764659-72-5
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 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2OC(CS2)N3C=C(C(=NC3=O)N)F)C(C)C
InChINot listed
Formula from structureC18H26FN3O4S
Molecular weight from structure399.48 g/mol

03Stereochemistry

The published structure contains 3 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

5 records

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.

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 764659-72-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 764659-72-5 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

Emtricitabine

View API and impurity family

Other names

  • (1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
  • DTXSID10737254
  • RefChem:196403
  • DTXCID20687998
  • 764659-72-5
  • 147126-75-8
  • (2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
  • 1704050-76-9
  • (5S)-(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate
  • [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
  • C18H26FN3O4S
  • SCHEMBL2488632

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