Basic information
- CAS
27171-89-7- Standard SMILES
O=C(O)CCCc1ccc(N(CCO)CCCl)cc1- InChIKey
SFCORMODVLBZLW-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO3
- Average molar mass
- 285.76 g/mol
- Monoisotopic mass
- 285.1131712
Names & identifiers
- Preferred name
- Hydroxy chlorambucil
- IUPAC
- 4-[4-[2-chloroethyl(2-hydroxyethyl)amino]phenyl]butanoic acid
- English name
- Benzenebutanoic acid,4-[(2-chloroethyl)(2-hydroxyethyl)amino]-
- Molecular formula
- C14H20ClNO3
- Molecular weight
- 285.77
Names & synonyms
Hydroxy chlorambucil27171-89-7UNII-78KV9SFF2R78KV9SFF2R4-(4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)PHENYL)BUTANOIC ACIDNSC 119101NSC-1191014-{4-[(2-chloroethyl)(2-hydroxyethyl)amino]phenyl}butanoic acidDTXSID00181641CHLORAMBUCIL IMPURITY A [EP IMPURITY]4-(4-N-(2-CHLOROETHYL)-N-(2-HYDROXYETHYL)AMINOPHENYL)BUTYRIC ACIDBENZENEBUTANOIC ACID, 4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-
Show more names
Benzenebutanoic acid,4-[(2-chloroethyl)(2-hydroxyethyl)amino]-
BUTYRIC ACID, 4-(P-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)PHENYL)-CHLORAMBUCIL IMPURITY A (EP IMPURITY)RefChem:147113DTXCID40104132N-(2-Hydroxyethyl) ChlorambucilChlorambucil EP Impurity A4-[4-[2-chloroethyl(2-hydroxyethyl)amino]phenyl]butanoic acidChlorambucil Impurity A
Database identifiers
- CAS
27171-89-7- PubChem CID
- 97376
- DTXSID
DTXSID00181641- UNII
- 78KV9SFF2R
- Nikkaji
- J1.021.377K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 480.3 · 480.3±40.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 4.71 · 4.71±0.10(Predicted)
- FDA UNII
- 78 KV9SFF2R · 78KV9SFF2R
Chemistry & industry
Applications
UsesN-(2-Hydroxyethyl) Chlorambucil is a degradation product of Chlorambucil (C325050); an alkylating agent used as a chemotherapy drug in the treatment of chronic lymphocytic leukemia. Chlorambucil is also used to treat non-Hodgkin''s lymphoma (NHL) and Hodgkin''s disease.
Suppliers9 total
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Related reactions
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Compound notes
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