Ifosfamide

Synonyms: ifosfamide, "Isophosphamide", "Isofosfamide", "Iphosphamide", "Ifosfamid", "Mitoxana", "Iphosphamid", "Naxamide", "Isoendoxan", "Ifex", "I-Phosphamide", "Holoxan", "Cyfos", "Ifsofamide", "Ifosphamide", "Ifosfamidum", "Ifosfamida", "isosfamide", "Ifosfamide Sterile"

Source: Ifosfamide is an oxazaphosphorine alkylating agent with a broad spectrum of antineoplastic activity.

Identifiers:

IUPAC Name: N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CAS Number: 3778-73-2
PubChem ID: 3690
InChiKey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
Canonical SMILES: C1CN(P(=O)(OC1)NCCCl)CCCl

Structural Properties:

Molecular Formula: C₇H₁₅Cl₂N₂O₂P
Molecular Weight: 261,079

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Emerging Contaminant

Wilkinson, J. L., Hooda, P. S., Barker, J., Barton, S., & Swinden, J. (2016). Ecotoxic pharmaceuticals, personal care products, and other emerging contaminants: A review of environmental, receptor-mediated, developmental, and epigenetic toxicity with discussion of proposed toxicity to humans. Critical Reviews in Environmental Science and Technology, 46(4), 336-381.

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2D-structure

3D-structure