Ifosfamide

CAT: 0127-BUP16947-03Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16947-03Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3778-73-2

Synonyms

NSC109724, Isophosphamide

Purity

=95%

Smiles

ClCCNP1(=O)OCCCN1CCCl

Chemical Information

Ifosfamide

Ifosfamide can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	3778-73-2
PubChem CID	3690
IUPAC Name	N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular Formula	C7H15Cl2N2O2P
Molecular Weight	261.08
XLogP	0.9
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

C1CN(P(=O)(OC1)NCCCl)CCCl

InChI

InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)

InChIKey

HOMGKSMUEGBAAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3778-73-2

CID: 3690

Formula: C7H15Cl2N2O2P

MW: 261.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.08
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	260.0248201
Monoisotopic Mass	260.0248201
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A2097-5.1	Ifosfamide