(2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol

(2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol

CAS: 113627-25-1

Formula: C19H29NO3

SMILES: [H][C@@]12C[C@@H](O)[C@@H](CC(C)C)CN1CCC1=C2C=C(OC)C(OC)=C1

IUPAC: (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-ol

InChI: InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17+/m0/s1

Composition: C (71.44%), H (9.15%), N (4.38%), O (15.03%)

Molar Mass: 319.445

Atom Count: 52

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	319.214743798
Formal Charge	0
FSP3	0.68
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WEQLWGNDNRARGE-BHYGNILZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.4
Topological Polar Surface Area	41.93
Polarizability	36.23
Ring Count	3
Rotatable Bond Count	4

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