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Lonafarnib

CAT: 1596-AR-L01806-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-L01806-05Size:150
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CAS Number
193275-84-2
Synonyms
4-[2-[4-[ (11R) -3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]-1-piperidinecarboxamide; Sarasar; Lonafarnib
Molecular Formula
C27H31Br2ClN4O2
Molecular Weight
638.83
API Name
Lonafarnib

Chemical Information

Lonafarnib

Lonafarnib is a 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor. It has a role as an antineoplastic agent and an EC 2.5.1.58 (protein farnesyltransferase) inhibitor.

CAS Number193275-84-2
PubChem CID148195
IUPAC Name4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
Molecular FormulaC27H31Br2ClN4O2
Molecular Weight638.8
XLogP4.8
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity790
SMILES
C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N
InChI
InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
InChIKey
DHMTURDWPRKSOA-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Lonafarnib
CAS: 193275-84-2
CID: 148195
Formula: C27H31Br2ClN4O2
MW: 638.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.8
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass638.04818
Monoisotopic Mass636.05023
Topological Polar Surface Area79.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity790
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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