Chemical identity

Bendamustine Monohydroxy Acid Ethyl Ester

CAS 898224-95-8 · C18H26ClN3O3

01Identity

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

Lazychem IDLC-07832
PubChem CID88993036
NameBendamustine Monohydroxy Acid Ethyl Ester
CAS RN898224-95-8
Molecular formulaC18H26ClN3O3
Molecular weight367.87 g/mol
IUPAC name5-[(2-Chloroethyl)(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
InChIKeyHYJTZPVNEXQTBH-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 88993036
Two-dimensional chemical structure of Bendamustine Monohydroxy Acid Ethyl Ester, CAS 898224-95-8
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 sites0
SMILESCCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N(CCO)CCCl
InChINot listed
Formula from structureC18H26ClN3O3
Molecular weight from structure367.87 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 Bendamustine Monohydroxy Acid Ethyl Ester 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 Bendamustine Monohydroxy Acid Ethyl Ester, 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
C17H23ClN4O4
Candidate SMILES
CCOC(=O)CCCc1nc2cc(N(CCO)CCCl)ccc2n1N=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 898224-95-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 898224-95-8 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

Bendamustine

View API and impurity family

Other names

  • 5-[(2-Chloroethyl)(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid Ethyl Ester
  • 898224-95-8
  • Bendamustine Impurity
  • Ethyl 4-(5-((2-chloroethyl)(2-hydroxyethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate
  • Ethyl 4-[5-[2-chloroethyl(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
  • starbld0006024
  • Bendamustine Impurity 75
  • Bendamustine Impurity N25
  • SCHEMBL12973509
  • YKB22495
  • DB-317044

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