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Sbc-115076

CAS No.:
489415-96-5
Catalog Number:
AG00DB96
Molecular Formula:
C31H33N3O5
Molecular Weight:
527.6108
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$223
- +
25mg
≥98%
1 week
United States
$508
- +
50mg
98%
1 week
United States
$640
- +
100mg
98%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG00DB96
Chemical Name:
Sbc-115076
CAS Number:
489415-96-5
Molecular Formula:
C31H33N3O5
Molecular Weight:
527.6108
MDL Number:
MFCD03296540
IUPAC Name:
(4E)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
InChI:
InChI=1S/C31H33N3O5/c1-22-20-25(8-9-26(22)39-21-23-6-3-2-4-7-23)29(35)27-28(24-10-12-32-13-11-24)34(31(37)30(27)36)15-5-14-33-16-18-38-19-17-33/h2-4,6-13,20,28,35H,5,14-19,21H2,1H3/b29-27+
InChI Key:
VVYIXKBHQQSREP-ORIPQNMZSA-N
SMILES:
O=C1C(=C(C(N1CCCN1CCOCC1)c1ccncc1)C(=O)c1ccc(c(c1)C)OCc1ccccc1)O
Properties
Complexity:
860  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
527.242g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
527.621g/mol
Monoisotopic Mass:
527.242g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Plasma binding and disposition of local anesthetics. International anesthesiology clinics 19750101
Properties