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Amifostine 200mg

CAT: 0628-A18124-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A18124-200Size:200 mg
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CAS Number
20537-88-6

Chemical Information

Amifostine

Amifostine is an organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy. It has a role as an antioxidant, a prodrug and a radiation protective agent. It is a diamine and an organic thiophosphate. It is functionally related to a cysteamine.

CAS Number20537-88-6
PubChem CID2141
IUPAC Name2-(3-aminopropylamino)ethylsulfanylphosphonic acid
Molecular FormulaC5H15N2O3PS
Molecular Weight214.23
XLogP-4.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
C(CN)CNCCSP(=O)(O)O
InChI
InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)
InChIKey
JKOQGQFVAUAYPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amifostine
CAS: 20537-88-6
CID: 2141
Formula: C5H15N2O3PS
MW: 214.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.23
XLogP3-4.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass214.05410052
Monoisotopic Mass214.05410052
Topological Polar Surface Area121 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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