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87475-54-5,MFCD14636514
Catalog No.:AA01CBWZ
87475-54-5 | 1H-Benzimidazole-2-butanoic acid,5-[bis(2-chloroethyl)amino]-1-methyl-, ethyl ester
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Technical Information
Catalog Number:
AA01CBWZ
Chemical Name:
1H-Benzimidazole-2-butanoic acid,5-[bis(2-chloroethyl)amino]-1-methyl-, ethyl ester
CAS Number:
87475-54-5
MDL Number:
MFCD14636514
IUPAC Name:
ethyl 4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoate
InChI:
InChI=1S/C18H25Cl2N3O2/c1-3-25-18(24)6-4-5-17-21-15-13-14(7-8-16(15)22(17)2)23(11-9-19)12-10-20/h7-8,13H,3-6,9-12H2,1-2H3
InChI Key:
GVLZDNWNOBSNEN-UHFFFAOYSA-N
Properties
Computed Properties
 
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.132g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.317g/mol
Monoisotopic Mass:
385.132g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
87475-54-5 
Bendamustine Ethyl Ester 
SCHEMBL229510 
ZINC67664925 
5-[bis-(2-Chloroethyl)amino]-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester 
CS-O-07339 
5-[bis(2-chloroethyl)amino]-1-methyl-1H-Benzimidazole-2-butanoic acid ethyl ester 
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