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Incyclinide

CAT: 0957-E4625-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E4625-01Size:1 mg
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CAS Number
15866-90-7

Chemical Information

Metastat

Incyclinide has been used in trials studying the treatment of HIV Infection, AIDS-related Kaposi Sarcoma, Brain and Central Nervous System Tumors, and Unspecified Adult Solid Tumor, Protocol Specific.

CAS Number15866-90-7
PubChem CID54678924
IUPAC Name(4aS,5aR,12aR)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Molecular FormulaC19H17NO7
Molecular Weight371.3
XLogP1
Topological Polar Surface Area158
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity813
SMILES
C1[C@@H]2CC3=C(C(=CC=C3)O)C(=C2C(=O)[C@]4([C@@H]1CC(=O)C(=C4O)C(=O)N)O)O
InChI
InChI=1S/C19H17NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21,23,25,27H,4-6H2,(H2,20,26)/t8-,9-,19-/m0/s1
InChIKey
NBRQRXRBIHVLGI-OWXODZSWSA-N
Chemical Structure
2D Structure
2D structure of Metastat
CAS: 15866-90-7
CID: 54678924
Formula: C19H17NO7
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.3
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass371.10050188
Monoisotopic Mass371.10050188
Topological Polar Surface Area158 Ų
Heavy Atom Count27
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8015-1Incyclinide
A17240-25Incyclinide 25mg
A17240-100Incyclinide 100mg
A17240-5Incyclinide 5mg
A17240-1Incyclinide 1mg
A17240-50Incyclinide 50mg
A17240-10Incyclinide 10mg
A17240-10mM-DIncyclinide 10mM * 1mL in DMSO

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