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97494-96-7 | 10b-hydroxy-3-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline-1-carbonitrile
CAS No: 97494-96-7 Catalog No: AG00JH0O MDL No:MFCD05855099
Product Description
Catalog Number:
AG00JH0O
Chemical Name:
10b-hydroxy-3-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline-1-carbonitrile
CAS Number:
97494-96-7
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
MDL Number:
MFCD05855099
IUPAC Name:
10b-hydroxy-3-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline-1-carbonitrile
InChI:
InChI=1S/C15H18N2O/c1-17-9-12-7-6-11-4-2-3-5-14(11)15(12,18)13(8-16)10-17/h2-5,12-13,18H,6-7,9-10H2,1H3
InChI Key:
NLKVUWURUUEGKV-UHFFFAOYSA-N
SMILES:
N#CC1CN(C)CC2C1(O)c1ccccc1CC2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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