Home Other Building Blocks Bupivacaine-d9

Bupivacaine-d9

CAS No.:
474668-57-0
Catalog Number:
AG00DKMG
Molecular Formula:
C18H19D9N2O
Molecular Weight:
297.4832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>9</sub>)
1 week
United States
$186
- +
5mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>9</sub>)
1 week
United States
$601
- +
Product Description
Catalog Number:
AG00DKMG
Chemical Name:
Bupivacaine-d9
CAS Number:
474668-57-0
Molecular Formula:
C18H19D9N2O
Molecular Weight:
297.4832
MDL Number:
MFCD11977968
IUPAC Name:
N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)piperidine-2-carboxamide
InChI:
InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/i1D3,4D2,5D2,12D2
InChI Key:
LEBVLXFERQHONN-JOJYFGIVSA-N
SMILES:
O=C(C1CCCCN1C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])Nc1c(C)cccc1C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.277g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
9  
Molecular Weight:
297.49g/mol
Monoisotopic Mass:
297.277g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties