Paliclavine

(1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol

Also Known As: Paliclavine|(1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol|N-bis(2-ethylaziridin-1-yl)phosphoryl-N-ethylethanamine|(1R)-2-methyl-1-((4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo(cd)indol-5-yl)prop-2-en-1-ol|(4R)-(4 alpha,5 beta(R*)))-1,3,4,5-tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd) indole-5-methanol|(4R)-(4alpha,5beta(R*))-1,3,4,5-Tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd)indole-5-methanol|(4R,5r,alphar)-1,3,4,5-tetrahydro-4-(methylamino)-alpha-(1-methylethenyl )benz[cd]indole-5-methanol|(alphaR,4R,5R)-1,3,4,5-Tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd)indole-5-methanol

Molecular Formula	C16H20N2O
Molecular Weight	256.15756 g/mol
LogP	2.9
Topological Polar Surface Area	48.1 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	256.15756
Monoisotopic Mass	256.15756
Heavy Atoms	19
Complexity	357.0

Chemical Identifiers

CAS Number	52052-70-7
SMILES	CC(=C)[C@@H]([C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)O
InChIKey	RYJKMWDFKMAASW-BMFZPTHFSA-N