Amifostine Hydrate 5mg

CAT: 0628-A14238-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A14238-5Size:5 mg

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CAS Number

112901-68-5

Chemical Information

Amifostine Trihydrate

See also: Amifostine (broader).

CAS Number	112901-68-5
PubChem CID	148139
IUPAC Name	2-(3-aminopropylamino)ethylsulfanylphosphonic acid;trihydrate
Molecular Formula	C5H21N2O6PS
Molecular Weight	268.27
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	15
Formal Charge	0
Complexity	152

SMILES

C(CN)CNCCSP(=O)(O)O.O.O.O

InChI

InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2

InChIKey

TXQPXJKRNHJWAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112901-68-5

CID: 148139

Formula: C5H21N2O6PS

MW: 268.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.27
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	268.08579457
Monoisotopic Mass	268.08579457
Topological Polar Surface Area	124 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Catalog	Name
MBS5782463	Amifostine Hydrate
B3474-1	Amifostine