Structural formula
| Business number | 03XK |
|---|---|
| Molecular formula | C13H18Cl2N2O2 |
| Molecular weight | 305.20 |
| label |
cancer safety, 4-[Bis(2-chloroethyl)amino]-L-phenylalanine, p-(Bis(2-chloroethyl)ylamino)-L-phenylalanine, 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine |
Numbering system
CAS number:148-82-3
MDL number:MFCD00057717
EINECS number:205-726-3
RTECS number:AY3675000
BRN number:None
PubChem number:24278538
Physical property data
1. Physical property data:
1. Characteristics: White or milky white powder or needle-like crystals.
2. Melting point (ºC): -180 ºC
3. Solubility:Soluble in ethanol, propylene glycol, slightly soluble in methanol, almost insoluble in water, chloroform and Ether, soluble in dilute acid.
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 11200 ug/kg;
Rat abdominal cavity LD50: 4484 ug/kg;
Rat intravenous LD50: 4100 ug/kg;
Mouse subcutaneous LD50: 32 mg/kg.
Ecological data
3. Ecological data:
Other harmful Effect: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data: 1. Molar refractive index:78.77 2. Molar volume (m3/mol):231.2 3. Isotonic specific volume (90.2K):630.3 4. Surface tension (dyne/cm):55.2 5. Polarizability(10-24cm3）：31.22
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: none
6. Topological molecule polar surface area 66.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 265
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
78.77
2. Molar volume (m3/mol):231.2
3. Isotonic specific volume (90.2K):630.3
4. Surface tension (dyne/cm):55.2
5. Polarizability(10-24cm3）：31.22
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: none
6. Topological molecule polar surface area 66.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 265
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place.
Synthesis method
Prepared from p-nitrobenzyl bromide as raw material.
Purpose
It is an alkylating agent anti-tumor drug, used for multiple myeloma, breast cancer, ovarian cancer, chronic lymphocytic and myeloid leukemia, malignant lymphoma, multiple myeloma Myeloma works. Arterial infusion has good efficacy in the treatment of malignant tumors of the limbs, such as malignant melanoma, soft tissue sarcoma and osteosarcoma. The racemate has a better effect on testicular seminoma. Preparations include tablets and injections.
Times New Roman'”>Stable under normal temperature and pressure.
Storage method
Seal and store in a dry and cool place.
Synthesis method
Prepared from p-nitrobenzyl bromide as raw material.
Purpose
It is an alkylating agent anti-tumor drug, used for multiple myeloma, breast cancer, ovarian cancer, chronic lymphocytic and myeloid leukemia, malignant lymphoma, multiple myeloma Myeloma works. Arterial infusion has good efficacy in the treatment of malignant tumors of the limbs, such as malignant melanoma, soft tissue sarcoma and osteosarcoma. The racemate has a better effect on testicular seminoma. Preparations include tablets and injections.
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