2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt

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Product Information

Molecular Formula
C23H24N2O4
Molecular Weight
392.46
Description
2-(9-Oxoxanthen-2-yl)propionic Acid 1,5-Diazabicyclo[4.3.0]non-5-ene Salt is an efficacious biochemical agent, is an instrumental tool utilized within the realm of biomedical inquiry. It can be used to probe cellular control structures associated with specific neurodegenerative and cardiovascular diseases.
Synonyms
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 2-(9-oxoxanthen-2-yl)propanoic acid; 2-(9-Oxoxanthen-2-yl)propionicAcid1,5-Diazabicyclo[4.3.0]non-5-eneSalt; 2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine 2-(9-oxo-9H-xanthen-2-yl)propanoate
IUPAC Name
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine2-(9-oxoxanthen-2-yl)propanoic acid
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O.C1CC2=NCCCN2C1
InChI
InChI=1S/C16H12O4.C7H12N2/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-141-3-7-8-4-2-6-9(7)5-1/h2-9H,1H3,(H,18,19)1-6H2
InChI Key
OQEMAQQKYSJWQK-UHFFFAOYSA-N
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
392.17360725 g/mol
Monoisotopic Mass
392.17360725 g/mol
Topological Polar Surface Area
79.2Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
545
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2021062091-A1 Dielectric materials 2018-01-22
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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