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Catalog Number | ACM75593178 |
CAS Number | 75593-17-8 |
Description | Debromohymenialdisine is a pyrrole alkaloid. |
Synonyms | (Z)-2-Debromohymenialdisine |
IUPAC Name | (4Z)-4-(2-Amino-5-oxo-1H-imidazol-4-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one |
Molecular Weight | 245.24 |
Molecular Formula | C11H11N5O2 |
Canonical SMILES | C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=CN2 |
InChI | InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6- |
InChI Key | JYRJOQGKGMHTOO-VURMDHGXSA-N |
Melting Point | >250 °C |
Purity | 95%+ |
Density | 1.82g/cm³ |
Appearance | Yellow Solid |
Complexity | 482 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 245.09127461 |
Heavy Atom Count | 18 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 4 |
Isomeric SMILES | C\1CNC(=O)C2=C(/C1=C\3/C(=O)NC(=N3)N)C=CN2 |
Monoisotopic Mass | 245.09127461 |
PhysicalState | Powder |
Rotatable Bond Count | 0 |
Topological Polar Surface Area | 112 Ų |
What is the chemical formula of Debromo Hymenialdisine?
The chemical formula of Debromo Hymenialdisine is C11H10N5O2.
What is the molecular weight of Debromo Hymenialdisine?
The molecular weight of Debromo Hymenialdisine is 244.2294.
What are some synonyms of Debromo Hymenialdisine?
Some synonyms of Debromo Hymenialdisine are DEBROMOHYMENIALDISINE, Debromohymenialdesine, and Pyrrolo[2,3-c]azepin-8(1H)-one, 4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-, (4Z)-.
What is the melting point of Debromo Hymenialdisine?
The melting point of Debromo Hymenialdisine is greater than 250°C.
In what form does Debromo Hymenialdisine exist?
Debromo Hymenialdisine exists as a yellow solid.
What are the storage conditions recommended for Debromo Hymenialdisine?
The recommended storage conditions for Debromo Hymenialdisine are -20°C in a freezer under an inert atmosphere.
How soluble is Debromo Hymenialdisine?
Debromo Hymenialdisine is soluble in DMSO and methanol.
What is the main usage of Debromo Hymenialdisine?
Debromo Hymenialdisine is used as an antineoplastic agent and a protein kinase inhibitor, which is isolated from marine organisms, terrestrial plants, and microorganisms.
How is Debromo Hymenialdisine classified in terms of product categories?
Debromo Hymenialdisine is classified under product categories such as Bases & Related Reagents, Heterocycles, Nucleotides, and Protein Kinase Inhibitors and Activators.
What is the nature of Debromo Hymenialdisine as a chemical?
Debromo Hymenialdisine is a natural product and is known for its antineoplastic properties and as a protein kinase inhibitor.
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