Chemical identity

Bendamustine

CAS 16506-27-7 · C16H21Cl2N3O2

01Identity

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

Lazychem IDLC-07804
PubChem CID65628
NameBendamustine
CAS RN16506-27-7
Molecular formulaC16H21Cl2N3O2
Molecular weight358.26 g/mol
IUPAC name5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic Acid
InChIKeyYTKUWDBFDASYHO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 65628
2D structure: Bendamustine, CAS 16506-27-7
Structure of Bendamustine (CAS 16506-27-7). LazyChem record. Source identity: PubChem CID 65628. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H21Cl2N3O2
InChIKeyYTKUWDBFDASYHO-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESCN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O
InChIInChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)

03Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Bendamustine, CAS 16506-27-7
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 16506-27-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 16506-27-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Bendamustine

View API and impurity family

Other names

  • Bendamustina
  • Bendamustinum
  • 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
  • 1H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-
  • 5-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolebutyric acid
  • 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzodiazol-2-yl}butanoic acid
  • omega-(1-Methyl-5-bis(beta-chloroethyl)aminobenzimidazole-(2)-butyric acid

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