COMPOUND: C13709
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Entry
C13709 Compound
Name
CPX;
8-Cyclopentyl-1,3-dipropylxanthine
Formula
C16H24N4O2
Exact mass
304.1899
Mol weight
304.3874
Structure
Mol file
KCF file
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Other DBs
CAS:
102146-07-6
PubChem:
586298
ChEBI:
73282
NIKKAJI:
J126.311K
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KCF data
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ATOM 22
1 C8y C 27.4509 -19.5101
2 C8y C 27.4509 -18.1547
3 N4y N 26.2737 -20.1939
4 C8y C 26.2737 -17.4829
5 C8y C 25.1154 -19.5101
6 N4y N 25.1154 -18.1547
7 O5x O 26.2737 -16.1398
8 O5x O 23.9510 -20.1693
9 C1b C 23.9554 -17.4863
10 C1b C 23.9541 -16.1474
11 C1a C 22.7940 -15.4791
12 C1b C 26.2457 -21.5551
13 C1b C 25.1344 -22.2316
14 C1a C 25.1297 -23.5929
15 N5x N 28.7400 -19.9289
16 C8y C 29.5367 -18.8324
17 N4x N 28.7400 -17.7358
18 C1y C 30.9400 -18.8324
19 C1x C 31.7618 -19.9635
20 C1x C 33.0914 -19.5314
21 C1x C 33.0914 -18.1333
22 C1x C 31.7618 -17.7013
BOND 24
1 3 5 1
2 4 6 1
3 4 7 2
4 5 8 2
5 5 6 1
6 6 9 1
7 1 2 2
8 9 10 1
9 1 3 1
10 10 11 1
11 3 12 1
12 2 4 1
13 12 13 1
14 13 14 1
15 1 15 1
16 15 16 2
17 16 17 1
18 2 17 1
19 16 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 18 22 1
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