Home Other Building Blocks 637-21-8
637-21-8,MFCD00050613
Catalog No.:AA003QV9
637-21-8 | Homatropine HCl
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1g
>98.0%(T)
1 week  
$152.00   $107.00
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25g
>98.0%(T)
1 week  
$709.00   $497.00
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Technical Information
Catalog Number:
AA003QV9
Chemical Name:
Homatropine HCl
CAS Number:
637-21-8
Molecular Formula:
C16H22ClNO3
Molecular Weight:
311.8038
MDL Number:
MFCD00050613
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrochloride
InChI:
InChI=1S/C16H21NO3.ClH/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
InChI Key:
FRMDDIJBLQNNTC-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C.Cl
EC Number:
211-280-0
Properties
Computed Properties
 
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.129g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.806g/mol
Monoisotopic Mass:
311.129g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0

Synonyms
 
Homatropine hydrochloride 
637-21-8 
AKOS027252994 
8-methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetatehydrochloride(1:1) 
TR-021910 
I14-56805 
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate hydrochloride 
HOMATROPINE HCL 
C16H21NO3.ClH 
UNII-365MO3S3N9 
C16-H21-N-O3.Cl-H 
EINECS 211-280-0 
8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrochloride 
AR-1H4767 
CID102457 
1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, mandelate (ester), hydrochloride 
6450-57-3 
Benzeneacetic acid, .alpha.-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, endo-(.+.)- 
AC1L2STU 
AC1Q3EBX 
HOMATROPINEHYDROCHLORIDE 
SCHEMBL220965 
CTK8B4043 
KS-000013VG 
ANW-43756 
Literature
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