| CAS Number | 158401-51-5 |
| Catalog Number | AG00ADM9(AGN-PC-0Q7GFY) |
| Chemical Name | 3-((2-((2-Chloroethyl)Amino)Ethyl)Amino)Propyl Dihydrogen Phosphate Dihydrochloride |
| IUPAC Name | 3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate;dihydrochloride |
| InChI | InChI=1S/C7H18ClN2O4P.2ClH/c8-2-4-10-6-5-9-3-1-7-14-15(11,12)13;;/h9-10H,1-7H2,(H2,11,12,13);2*1H |
| InChI Key | OTNQBDJOMAOTIE-UHFFFAOYSA-N |
| MDL Number | MFCD01757095 |
| Molecular Formula | C7H20Cl3N2O4P |
| Molecular Weight | 333.5775 |
| SMILES | Cl.Cl.OP(OCCCNCCNCCCl)(O)=O |
| Synonyms | 158401-51-5,
[3-({2-[(2-chloroethyl)amino]ethyl}amino)propoxy]phosphonic acid dihydrochloride,
1-Propanol, 3-((2-((2-chloroethyl)amino)ethyl)amino)-, dihydrogen phosphate (ester), dihydrochloride,
3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate dihydrochloride,
AC1MINRQ,
SCHEMBL18864187,
DTXSID40166417,
LS-121893,
3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate;dihydrochloride,
Cyclophosphamide Related Compound D (25 mg) (3-[2-(2-chloroethylamino)ethylamino]propyl dihydrogen phosphate dihydrochloride),
C7H18ClN2O4P.2ClH,
OTNQBDJOMAOTIE-UHFFFAOYSA-N,
Cyclophosphamide Related Compound D,
C7-H18-Cl-N2-O4-P.2Cl-H,
CID3074467,
CS-T-11152,
3-[2-(2-chloroethylamino)ethylamino]propoxyphosphonic Acid Dihydrochloride,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.571g/mol |
| Monoisotopic Mass | 332.023g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number