Chemical identity

Raltegravir EP Impurity B / Raltegravir Related Compound C / Raltegravir Formididyl Analog

CAS 1193687-85-2 · C19H24FN5O3

01Identity

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

Lazychem IDLC-26658
PubChem CID137552076
NameRaltegravir EP Impurity B / Raltegravir Related Compound C / Raltegravir Formididyl Analog
CAS RN1193687-85-2
Molecular formulaC19H24FN5O3
Molecular weight389.42 g/mol
IUPAC name(E)-2-(2-{[(Dimethylamino)methylidene]amino}propan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
InChIKeyMEBOBLUKSXGASS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 137552076
Two-dimensional chemical structure of Raltegravir EP Impurity B / Raltegravir Related Compound C / Raltegravir Formididyl Analog, CAS 1193687-85-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
N-methyl amine sites2
SMILESCC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)N=CN(C)C
InChINot listed
Formula from structureC19H24FN5O3
Molecular weight from structure389.42 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Raltegravir EP Impurity B / Raltegravir Related Compound C / Raltegravir Formididyl Analog with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Raltegravir EP Impurity B / Raltegravir Related Compound C / Raltegravir Formididyl Analog, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C18H21FN6O4
Candidate SMILES
CN(C=NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)N=O

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 1193687-85-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1193687-85-2 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

Raltegravir

View API and impurity family

Other names

  • Raltegravir EP Impurity B
  • Raltegravir Related Compound C
  • Raltegravir Formididyl Analog
  • 2-Des(5-methyl-1,3,4-oxadiazole-2-carboxamide) (E)-2-(N,N-Dimethylformimidamide) Raltegravir
  • 1193687-85-2
  • UTE3M7YGV6
  • 2-[2-(Dimethylaminomethylideneamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
  • N'-{2-[4-({[(4-fluorophenyl)methyl]amino}(hydroxy)methylidene)-1-methyl-5,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl]propan-2-yl}-N,N-dimethylmethanimidamide
  • DES(5-methyl-1,3,4-oxadiazole-2-carboxamide)-((E)-dimethylaminomethyleneamino)raltegravir
  • 2-(2-((E)-((Dimethylamino)methylidene)amino)propan-2-yl)-N-((4-fluorophenyl)methyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
  • 2-[1-[[(Dimethylamino)methylene]amino]-1-methylethyl]-N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide
  • UNII-UTE3M7YGV6

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