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58239-89-7 | Moxazocine
CAS No: 58239-89-7 Catalog No: AG00EIRW MDL No:
Product Description
Catalog Number:
AG00EIRW
Chemical Name:
Moxazocine
CAS Number:
58239-89-7
IUPAC Name:
(1S,9R,13R)-10-(cyclopropylmethyl)-13-methoxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
InChI:
InChI=1S/C18H25NO2/c1-18-7-8-19(11-12-3-4-12)16(17(18)21-2)9-13-5-6-14(20)10-15(13)18/h5-6,10,12,16-17,20H,3-4,7-9,11H2,1-2H3/t16-,17+,18+/m1/s1
InChI Key:
IOZWXJXXVLARQC-SQNIBIBYSA-N
UNII:
BNB57S7DWT
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
287.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.403g/mol
Monoisotopic Mass:
287.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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