IUPAC name
({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid
SMILES
NCCCNCCSP(O)(O)=O
Compound class
Radiation-Protective Agents; Detoxifying Agents for Antineoplastic Treatment;
Therapeutic area
For reduction in the cumulative renal toxicity in patients with ovarian cancer (using cisplatin) and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer.
Common name
Amifostine
IUPAC name
({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid
SMILES
NCCCNCCSP(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)
FORMULA
C5H15N2O3PS
Common name
Amifostine
IUPAC name
({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid
Molecular weight
214.223
clogP
-1.351
clogS
-0.583
HBond Acceptor
3
HBond Donor
5
Total Polar Surface Area
120.88
Number of Rings
0
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF02580 | 2-(methylamino)ethanethiol |
|
SCCNC | 0.0003 |
| FDBF02581 | 2-(ethylamino)ethanethiol |
|
SCCNCC | 0.0007 |
9 ,
1
