Catalog Number
ACM75593178
Product Name
Debromohymenialdisine
Category
Heterocyclic Organic Compound
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 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
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
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
Storage Conditions
Powder: -20°C for 3 years
In solvent: -80°C for 2 years
Topological Polar Surface Area
112 Ų
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