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Bryonamide B

CAT: 0013-GTR19243441-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243441-01Size:500 mg
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Description
Bryonamide B is a cucurbitane-type triterpenoid isolated from Bryonia aspera.
CAS Number
5942-25-6
Purity
>98% (HPLC)
Smiles
C (NCCO) (=O) C1=CC (OC) =C (O) C=C1
Molecular Formula
C10H13NO4
Molecular Weight
211.21
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bryonamide B
CAS Number5942-25-6
PubChem CID13724158
IUPAC Name4-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
Molecular FormulaC10H13NO4
Molecular Weight211.21
XLogP0.5
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity210
SMILES
COC1=C(C=CC(=C1)C(=O)NCCO)O
InChI
InChI=1S/C10H13NO4/c1-15-9-6-7(2-3-8(9)13)10(14)11-4-5-12/h2-3,6,12-13H,4-5H2,1H3,(H,11,14)
InChIKey
JDMYVMZSGKUWLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bryonamide B
CAS: 5942-25-6
CID: 13724158
Formula: C10H13NO4
MW: 211.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.21
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass211.08445790
Monoisotopic Mass211.08445790
Topological Polar Surface Area78.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity210
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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