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NBD AA

CAT: 0931-TYD-04635-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-04635-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2254005-15-5
Target
Others
Related Pathways
Others
Bioactivity
NBD AA is a type of arachidonyl ethanolamide.
Smiles
N(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O)C=1C=2C(C(N(=O)=O)=CC1)=NON2
Molecular Formula
C26H34N4O5
Molecular Weight
482.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

20-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]arachidonic acid
CAS Number2254005-15-5
PubChem CID129854138
IUPAC Name(5Z,8Z,11Z,14Z)-20-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]icosa-5,8,11,14-tetraenoic acid
Molecular FormulaC26H34N4O5
Molecular Weight482.6
XLogP6.1
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count35
Formal Charge0
Complexity732
SMILES
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C26H34N4O5/c31-24(32)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21-27-22-19-20-23(30(33)34)26-25(22)28-35-29-26/h1,3-4,6-7,9-10,12,19-20,27H,2,5,8,11,13-18,21H2,(H,31,32)/b3-1-,6-4-,9-7-,12-10-
InChIKey
LUUPGKFIPNBQCK-DTLRTWKJSA-N
Chemical Structure
2D Structure
2D structure of 20-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]arachidonic acid
CAS: 2254005-15-5
CID: 129854138
Formula: C26H34N4O5
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass482.25292020
Monoisotopic Mass482.25292020
Topological Polar Surface Area134 Ų
Heavy Atom Count35
Formal Charge0
Complexity732
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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