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Avasimibe 10mg

CAT: 0628-A10102-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A10102-10Size:10 mg
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CAS Number
166518-60-1

Chemical Information

Avasimibe

Avasimibe is a monoterpenoid.

CAS Number166518-60-1
PubChem CID166558
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
Molecular FormulaC29H43NO4S
Molecular Weight501.7
XLogP8.2
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity734
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
InChIKey
PTQXTEKSNBVPQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Avasimibe
CAS: 166518-60-1
CID: 166558
Formula: C29H43NO4S
MW: 501.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.7
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass501.29128003
Monoisotopic Mass501.29128003
Topological Polar Surface Area80.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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