Benzeneacetic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide

Catalog Number	ACM51569-1
CAS Number	51-56-9
Structure
Synonyms	(+-)-Homatropine bromide;(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide;1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester), hydrobromide;1alphaH,5alphaH-Tropan-3alpha-ol mandelate (ester) hydrobromide;51-56-9;AC1O4WGN;AK-88682;AK-Homatropine;AKOS025117351
IUPAC Name	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrobromide.
Molecular Weight	356.2548g/mol
Molecular Formula	C16H22BrNO3
InChI	InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;
InChI Key	DWSGTFTVBLXELC-MOTQWOLNSA-N
Boiling Point	434.9°C at 760mmHg
Melting Point	214-218°C
Purity	0.98
Appearance	Solid
Complexity	340
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
EC Number	200-105-3
Exact Mass	355.078g/mol
Formal Charge	0.
Hazard Statements	H302: Harmful if swallowed. H315: Causes skin irritation. H319: Causes serious eye irritation. H335: May cause respiratory irritation.P280: Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
MDL Number	MFCD00012676
Monoisotopic Mass	355.078g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.8A^2.
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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