Keramadine

Catalog Number	ACM88839978
CAS Number	88839-97-8
Synonyms	9,10-Dihydrokeramadine
Molecular Weight	324.18
InChI	InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/b3-2-
InChI Key	IHGGTFLLONNOLE-IHWYPQMZSA-N
Purity	90%+
Complexity	351
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	323.03817
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isomeric SMILES	CN1C(=CN=C1N)/C=C\CNC(=O)C2=CC(=CN2)Br
Monoisotopic Mass	323.03817
Rotatable Bond Count	4
Topological Polar Surface Area	88.7 Ų

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