Chlorambucil
-
CAS Number 305-03-3
-
Catalog Number io-1941
-
Classification Acids
-
Molecular Weight 304.2000
-
SMILES C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
Chlorambucil can cause cancer according to California Labor Code. It can cause developmental toxicity according to an independent committee of scientific and health experts.
| 1 | chlorambucil |
| 2 | Ambochlorin |
| 3 | Leukeran |
| 4 | Chloroambucil |
| 5 | Chloraminophen |
| Molecular Formula | C14H19Cl2NO2 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl |
| Isomeric SMILES | C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl |
| Molecular Weight | 304.2000 |
| InChIKey | JCKYGMPEJWAADB-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) |
| XLogP | 1.7000 |
| ExactMass | 303.0793 |
| MonoisotopicMass | 303.0793 |
| TPSA | 40.5000 |
| Complexity | 250.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 126750 |
| PatentFamilyCount | 33327 |
| LiteratureCount | 10713 |
