Home Other Building Blocks Cyclobenzaprine-d3 HCl

Cyclobenzaprine-d3 HCl

CAS No.:
1184983-42-3
Catalog Number:
AG0094U9
Molecular Formula:
C20H19ClD3N
Molecular Weight:
314.8669
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Product Description
Catalog Number:
AG0094U9
Chemical Name:
Cyclobenzaprine-d3 HCl
CAS Number:
1184983-42-3
Molecular Formula:
C20H19ClD3N
Molecular Weight:
314.8669
MDL Number:
MFCD06658681
IUPAC Name:
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H/i1D3;
InChI Key:
VXEAYBOGHINOKW-NIIDSAIPSA-N
SMILES:
CN(C([2H])([2H])[2H])CC/C=C/1\c2ccccc2C=Cc2c1cccc2.Cl
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.163g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
314.871g/mol
Monoisotopic Mass:
314.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties