- 752198-38-2Benzenepropanoic acid, b-amino-2-methyl-, (bR)-
- 752222-83-61H-Purine-2,6-dione,3-ethyl-3,9-dihydro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-yl]-
- 752234-64-3Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid,1,2-dihydro-5-methoxy-2-oxo-,1,1-dimethylethyl ester
- 752241-92-22-Amino-5-tert-butyldimethylsilyloxy-methyl-thiazole
- 752243-39-3TAK-700 (R-form)
- 75225-50-21-Naphthaleneheptanoicacid, 1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-,sodium salt (1:1), (bR,dR,1S,2S,6R,8S,8aR)-
- 7522-62-51,4-Benzenedimethanol,2,3,5,6-tetramethyl-
- 75226-96-9Acetic acid,2-[4-(2-hydroxy-4-methoxybenzoyl)phenoxy]-
- 75-22-9Boron,(N,N-dimethylmethanamine)trihydro-, (T-4)-
- 75-23-0Boron,(ethanamine)trifluoro-, (T-4)-
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
| Name |
Bestrabucil |
EINECS | N/A |
| CAS No. | 75219-46-4 | Density | 1.27g/cm3 |
| PSA | 82.14000 | LogP | 8.52380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C41H47 Cl2 N O6 | Boiling Point | 804.3°C at 760 mmHg |
| Molecular Weight | 720.79 | Flash Point | 440.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3-benzoate17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate] (9CI);Estra-1,3,5(10)-triene-3,17-diol (17b)-, 3-benzoate17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate], (3b,5b)-; 17b-Busramustine; Atrimustine; Bestrabucil; KM 2210 |
Bestrabucil Chemical Properties
Molecule structure of Bestrabucil (CAS NO.75219-46-4):
IUPAC Name: [(17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight: 720.72098 g/mol
Molecular Formula: C41H47Cl2NO6
Density: 1.27 g/cm3
Boiling Point: 804.3 °C at 760 mmHg
Flash Point: 440.2 °C
Index of Refraction: 1.611
Molar Refractivity: 195.58 cm3
Molar Volume: 563.3 cm3
Polarizability: 77.53×10-24 cm3
Surface Tension: 57 dyne/cm
Enthalpy of Vaporization: 116.93 kJ/mol
Vapour Pressure: 6.74E-26 mmHg at 25 °C
XLogP3-AA: 9.7
H-Bond Acceptor: 7
Rotatable Bond Count: 17
Exact Mass: 719.278044
MonoIsotopic Mass: 719.278044
Topological Polar Surface Area: 82.1
Heavy Atom Count: 50
Complexity: 1120
Defined Atom StereoCenter Count: 1
Undefined Atom StereoCenter Count: 4
Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6
Isomeric SMILES: CC12CCC3C(C1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6
InChIKey of Bestrabucil (CAS NO.75219-46-4): IFJUINDAXYAPTO-YEMMQMLISA-N
Bestrabucil Toxicity Data With Reference
| 1. | dni-hmn:hlas 5 mg/L | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),1974. | ||
| 2. | oth-hmn:hlas 50 mg/L | KSRNAM Kiso to Rinsho. Clinical Report. 20 (1986),1974. |
Bestrabucil Safety Profile
An experimental teratogen. Other experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Bestrabucil Specification
Bestrabucil (CAS NO.75219-46-4) is also named as Atrimustina ; Atrimustina [INN-Spanish] ; Atrimustine ; Atrimustinum ; Atrimustinum [INN-Latin] ; Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate ; KM 2210 ; UNII-XC0K09B7K4 ; Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-benzoate, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) ; Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate .
What can I do for you?
Get Best Price
