10Z-Hymenialdisine

CAS	82005-12-7
Structure
Description	10Z-Hymenialdisine is a natural bioactive pyrrole alkaloid.
Synonyms	Hymenialdisine
IUPAC Name	(4Z)-4-(2-Amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Molecular Weight	324.13
Canonical SMILES	C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br
InChI	InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
InChI Key	ATBAETXFFCOZOY-DAXSKMNVSA-N
Purity	95%+
Complexity	515
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	323.00179
Heavy Atom Count	19
Isomeric SMILES	C\1CNC(=O)C2=C(/C1=C\3/C(=O)NC(=N3)N)C=C(N2)Br
Monoisotopic Mass	323.00179
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	112 Ų