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Home Other Building Blocks Deltarasin hydrochloride

Deltarasin hydrochloride

CAS No.:
1440898-82-7
Catalog Number:
AG00AQC5
Molecular Formula:
C40H39Cl2N5O
Molecular Weight:
676.6766
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$123
- +
5mg
≥98%
1 week
United States
$323
- +
10mg
≥98%
1 week
United States
$457
- +
Product Description
Catalog Number:
AG00AQC5
Chemical Name:
Deltarasin hydrochloride
CAS Number:
1440898-82-7
Molecular Formula:
C40H39Cl2N5O
Molecular Weight:
676.6766
MDL Number:
MFCD28252145
IUPAC Name:
1-benzyl-2-[4-[(2S)-2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole;trihydrochloride
InChI:
InChI=1S/C40H37N5O.3ClH/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31;;;/h1-22,30,38,41H,23-28H2;3*1H/t38-;;;/m1.../s1
InChI Key:
NCIOVAYUMQEQEU-VKZSUDIWSA-N
SMILES:
c1ccc(cc1)Cn1c(nc2c1cccc2)c1ccc(cc1)OC[C@@H](n1c(nc2c1cccc2)c1ccccc1)C1CCNCC1.Cl.Cl
Properties
Complexity:
923  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
711.23g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
713.144g/mol
Monoisotopic Mass:
711.23g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties