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Aristolactam A II

CAT: 0804-HY-N2891-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2891-01Size:1 mg
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Description
Aristolactam A II is a Aristolactam. Aristolactam a small group of compounds mainly found in the Aristolochiaceae[1].
CAS Number
53948-07-5
Product Name Alternative
Aristololactam A II
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/aristolactam-a-ii.html
Purity
96.74
Solubility
DMSO : 11 mg/mL (ultrasonic; warming)
Smiles
O=C1NC2=C3C1=CC(O)=C(OC)C3=C4C(C=CC=C4)=C2
Molecular Formula
C16H11NO3
Molecular Weight
265.26
Precautions
H302, H315, H319, H335
References & Citations
[1]Kumar V, et al. Naturally occurring aristolactams, aristolochic acids and dioxoaporphines and their biological activities[J]. Natural product reports, 2003, 20 (6) : 565-583.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aristolactam Aii

Aristolactam AII is an alkaloid.

CAS Number53948-07-5
PubChem CID148657
IUPAC Name14-hydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
Molecular FormulaC16H11NO3
Molecular Weight265.26
XLogP3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity413
SMILES
COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3NC2=O)O
InChI
InChI=1S/C16H11NO3/c1-20-15-12(18)7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15/h2-7,18H,1H3,(H,17,19)
InChIKey
ZEKAIRFOYPDZNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aristolactam Aii
CAS: 53948-07-5
CID: 148657
Formula: C16H11NO3
MW: 265.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.26
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass265.07389321
Monoisotopic Mass265.07389321
Topological Polar Surface Area58.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity413
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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