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2108-39-6 | 1H-[1,3]Dioxolo[7,8][1]benzoxepino[2,3,4-ij]isoquinoline, 2,3,13,13a-tetrahydro-6-methoxy-1-methyl-, hydrochloride, (R)- (9CI)
CAS No: 2108-39-6 Catalog No: AG002KZ3 MDL No:
Product Description
Catalog Number:
AG002KZ3
Chemical Name:
1H-[1,3]Dioxolo[7,8][1]benzoxepino[2,3,4-ij]isoquinoline, 2,3,13,13a-tetrahydro-6-methoxy-1-methyl-, hydrochloride, (R)- (9CI)
CAS Number:
2108-39-6
IUPAC Name:
(13R)-20-methoxy-14-methyl-2,6,8-trioxa-14-azapentacyclo[11.7.1.03,11.05,9.017,21]henicosa-1(20),3,5(9),10,17(21),18-hexaene;hydrochloride
InChI:
InChI=1S/C19H19NO4.ClH/c1-20-6-5-11-3-4-14(21-2)19-18(11)13(20)7-12-8-16-17(23-10-22-16)9-15(12)24-19;/h3-4,8-9,13H,5-7,10H2,1-2H3;1H/t13-;/m1./s1
InChI Key:
KATUMLIHORNYOL-BTQNPOSSSA-N
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
361.108g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.822g/mol
Monoisotopic Mass:
361.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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