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Tz-Thalidomide

CAT: 0127-BUP06027-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06027-03Size:25 mg
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CAS Number
2087490-42-2
Purity
=98%
Smiles
O=C1NC(=O)C(N2C(=O)C=3C=CC=C(OCCCCCC(=O)NCC=4C=CC(=CC4)C5=NN=C(N=N5)C)C3C2=O)CC1

Chemical Information

Tz-Thalidomide
CAS Number2087490-42-2
PubChem CID132211963
IUPAC Name6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
Molecular FormulaC29H29N7O6
Molecular Weight571.6
XLogP0.7
Topological Polar Surface Area173
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCOC3=CC=CC4=C3C(=O)N(C4=O)C5CCC(=O)NC5=O
InChI
InChI=1S/C29H29N7O6/c1-17-32-34-26(35-33-17)19-11-9-18(10-12-19)16-30-23(37)8-3-2-4-15-42-22-7-5-6-20-25(22)29(41)36(28(20)40)21-13-14-24(38)31-27(21)39/h5-7,9-12,21H,2-4,8,13-16H2,1H3,(H,30,37)(H,31,38,39)
InChIKey
AHPHLKGKBKDTDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tz-Thalidomide
CAS: 2087490-42-2
CID: 132211963
Formula: C29H29N7O6
MW: 571.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.6
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass571.21793167
Monoisotopic Mass571.21793167
Topological Polar Surface Area173 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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