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86630-81-1 | 2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (R)-
CAS No: 86630-81-1 Catalog No: AG004KZP MDL No:
Product Description
Catalog Number:
AG004KZP
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (R)-
CAS Number:
86630-81-1
Molecular Formula:
C16H12ClN3O3
Molecular Weight:
329.7378
IUPAC Name:
(3R)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m1/s1
InChI Key:
LMUVYJCAFWGNSY-SECBINFHSA-N
SMILES:
C[C@H]1N=C(c2c(NC1=O)ccc(c2)[N+](=O)[O-])c1ccccc1Cl
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.74g/mol
Monoisotopic Mass:
329.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and structure-activity relationship of clonazepam, meclonazepam, and 1,4-benzodiazepine compounds with schistosomicidal activity. | Chemical biology & drug design 20120601 |
| The effects of 3-methylclonazepam on Schistosoma mansoni musculature are not mediated by benzodiazepine receptors. | European journal of pharmacology 20090315 |
| Schistosoma mansoni: lack of correlation between praziquantel-induced intra-worm calcium influx and parasite death. | Experimental parasitology 20080701 |
| Meclonazepam analogues as potential new antihelmintic agents. | Bioorganic & medicinal chemistry letters 20080401 |
| Praziquantel and the benzodiazepine Ro 11-3128 do not compete for the same binding sites in schistosomes. | Parasitology 20080101 |
| The anti-schistosomal drug praziquantel is an adenosine antagonist. | Parasitology 20070801 |
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