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Piperolactam D

CAT: 0931-T126315-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126315-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116084-93-6
Target
Others
Related Pathways
Others
Bioactivity
Piperolactam D is a useful organic compound for research related to life sciences. The catalog number is T126315 and the CAS number is 116084-93-6.
Smiles
COc1c2C(=O)Nc3cc4ccccc4c(c(O)c1OC)c23
Molecular Formula
C17H13NO4
Molecular Weight
295.294
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Hydroxy-2,3-dimethoxydibenz(cd,f)indol-4(5H)-one

Piperolactam D is an alkaloid.

CAS Number116084-93-6
PubChem CID14039008
IUPAC Name15-hydroxy-13,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Molecular FormulaC17H13NO4
Molecular Weight295.29
XLogP2.9
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity456
SMILES
COC1=C2C3=C(C4=CC=CC=C4C=C3NC2=O)C(=C1OC)O
InChI
InChI=1S/C17H13NO4/c1-21-15-13-12-10(18-17(13)20)7-8-5-3-4-6-9(8)11(12)14(19)16(15)22-2/h3-7,19H,1-2H3,(H,18,20)
InChIKey
PHKYZFGDNGACRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-2,3-dimethoxydibenz(cd,f)indol-4(5H)-one
CAS: 116084-93-6
CID: 14039008
Formula: C17H13NO4
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass295.08445790
Monoisotopic Mass295.08445790
Topological Polar Surface Area67.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity456
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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Alternative Products

CatalogName
HY-N2894Piperolactam A
582975Piperolactam C
GTR19227690-01Piperolactam D

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