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Bavisant dihydrochloride hydrate

CAS No.:
1103522-80-0
Catalog Number:
AG008TDU
Molecular Formula:
C19H31Cl2N3O3
Molecular Weight:
420.3737
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$390
- +
10mg
99%
1 week
United States
$557
- +
50mg
99%
1 week
United States
$1457
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG008TDU
Chemical Name:
Bavisant dihydrochloride hydrate
CAS Number:
1103522-80-0
Molecular Formula:
C19H31Cl2N3O3
Molecular Weight:
420.3737
MDL Number:
MFCD26142923
IUPAC Name:
(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrate;dihydrochloride
InChI:
InChI=1S/C19H27N3O2.2ClH.H2O/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20;;;/h1-4,18H,5-15H2;2*1H;1H2
InChI Key:
BLFBQJUVAGIUBL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1.O.Cl.Cl
UNII:
C1H7H5X3RE
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.174g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
420.375g/mol
Monoisotopic Mass:
419.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties