Neoechinulin A

Catalog Number	ACM51551292
CAS Number	51551-29-2
Structure
Description	Neoechinulin A is an isoprenyl indole alkaloid that exhibits scavenging, neurotrophic factor-like, and anti-apoptotic activities. Neoechinulin A induces memory improvements and antidepressant-like effects in mice.
Synonyms	(3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione
Molecular Weight	323.4
Molecular Formula	C19H21N3O2
Canonical SMILES	C=CC(C)(C)C1=C(C2=CC=CC=C2N1)/C=C3C(N[C@H](C(N/3)=O)C)=O
InChI	InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
InChI Key	MYRPIYZIAHOECW-SAIXKJTDSA-N
Melting Point	272-275 °C
Purity	95%+
Appearance	Solid
Storage	4°C, sealed storage, away from moisture and light*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
Complexity	581
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	323.16337692
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isomeric SMILES	C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1
Monoisotopic Mass	323.16337692
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	74 Ų

Custom Q&A

What is the molecular formula of Neochinulin A?

The molecular formula of Neochinulin A is C19H21N3O2.

What is the molecular weight of Neochinulin A?

The molecular weight of Neochinulin A is 323.39.

What is the CAS number of Neochinulin A?

The CAS number of Neochinulin A is 51551-29-2.

What is the melting point of Neochinulin A?

The melting point of Neochinulin A is 272-275 °C.

What is the predicted boiling point of Neochinulin A?

The predicted boiling point of Neochinulin A is 655.7±55.0 °C.

What is the predicted density of Neochinulin A?

The predicted density of Neochinulin A is 1.0±0.06 g/cm3.

What is the storage temperature recommendation for Neochinulin A?

The storage temperature recommended for Neochinulin A is 4°C, away from moisture and light.

What is the predicted pKa value of Neochinulin A?

The predicted pKa value of Neochinulin A is 11.96±0.40.

What is the safety information HS code for Neochinulin A?

The safety information HS code for Neochinulin A is 2933399990.

Is Neochinulin A the same compound as Neoechinulin A?

Yes, Neochinulin A is also known as Neoechinulin A.

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