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CPS-11

CAT: 0127-BUP07289-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07289-06Size:200 mg
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CAS Number
145945-21-7
Synonyms
CPS11, CPS 11, N- (Hydroxymethyl) thalidomide
Purity
=98%
Smiles
O=C1N(C(=O)C=2C1=CC=CC2)C3C(=O)N(CO)C(=O)CC3

Chemical Information

Cps-11

has antineoplastic activity

CAS Number145945-21-7
PubChem CID9900574
IUPAC Name2-[1-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Molecular FormulaC14H12N2O5
Molecular Weight288.25
XLogP0.5
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity493
SMILES
C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CO
InChI
InChI=1S/C14H12N2O5/c17-7-15-11(18)6-5-10(14(15)21)16-12(19)8-3-1-2-4-9(8)13(16)20/h1-4,10,17H,5-7H2
InChIKey
LZHQPJSJEITGHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cps-11
CAS: 145945-21-7
CID: 9900574
Formula: C14H12N2O5
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.25
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.07462149
Monoisotopic Mass288.07462149
Topological Polar Surface Area95 Ų
Heavy Atom Count21
Formal Charge0
Complexity493
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