COMPOUND: C15040
Help
Entry
C15040 Compound
Name
GYKI 52466;
4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine
Formula
C17H15N3O2
Exact mass
293.1164
Mol weight
293.32
Structure
Mol file
KCF file
DB search
Pathway
map07117
Benzodiazepine family
Other DBs
CAS:
102771-26-6
PubChem:
17396037
ChEBI:
79560
PDB-CCD:
A1AB5
[
PDBj
]
NIKKAJI:
J347.048B
LinkDB
All DBs
KCF data
Show
ATOM 22
1 C8y C 11.4436 -23.5206
2 C1x C 12.6905 -22.8930
3 C2y C 13.9665 -23.4705
4 N2x N 14.3063 -24.8185
5 C8y C 11.1627 -24.9013
6 N2x N 13.4647 -25.9405
7 C2y C 12.0636 -25.9734
8 C1a C 15.0702 -22.5474
9 C8y C 11.4848 -27.2552
10 C8x C 10.3952 -22.5929
11 C8y C 9.0675 -23.0371
12 C8y C 8.7865 -24.4177
13 C8x C 9.8350 -25.3455
14 O2x O 7.8412 -22.3432
15 C1x C 6.8023 -23.2950
16 O2x O 7.3866 -24.5772
17 C8x C 10.0848 -27.2552
18 C8x C 9.3848 -28.4677
19 C8y C 10.0848 -29.6801
20 C8x C 11.4848 -29.6801
21 C8x C 12.1848 -28.4677
22 N1a N 9.3837 -30.8945
BOND 25
1 3 4 2
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 3 8 1
9 7 9 1
10 1 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 5 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 9 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 9 21 1
25 19 22 1
» Japanese version
DBGET
integrated database retrieval system
