COMPOUND: C13334
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Entry
C13334 Compound
Name
Pitavastatin;
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
Formula
C25H23FNO4
Exact mass
420.1611
Mol weight
420.4528
Structure
Mol file
KCF file
DB search
Pathway
map07024
HMG-CoA reductase inhibitors
Other DBs
CAS:
147511-69-1
PubChem:
586078
ChEBI:
32020
71260
PDB-CCD:
PV9
[
PDBj
]
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KCF data
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ATOM 31
1 C8x C 26.6837 -27.4037
2 C8x C 26.6837 -28.8133
3 C8x C 27.8818 -29.5181
4 C8y C 29.1505 -28.8133
5 C8y C 29.1505 -27.4037
6 C8x C 27.8818 -26.6989
7 N5x N 30.3486 -29.5181
8 C8y C 31.5468 -28.8133
9 C8y C 31.5468 -27.4037
10 C8y C 30.3486 -26.6989
11 C8y C 30.3486 -25.2893
12 C8x C 31.5468 -24.5845
13 C8x C 31.5468 -23.1749
14 C8y C 30.3486 -22.4701
15 C8x C 29.1505 -23.1749
16 C8x C 29.1505 -24.5845
17 C2b C 32.7449 -26.6989
18 C2b C 33.9431 -27.4037
19 X F 30.3486 -21.0605
20 C1y C 32.7449 -29.5181
21 C1c C 35.1413 -26.6989
22 C1b C 36.3394 -27.4037
23 C1c C 37.5376 -26.6989
24 C1b C 38.7358 -27.4037
25 O1a O 35.1413 -25.2893
26 O1a O 37.5376 -25.2893
27 C6a C 39.9339 -26.6989
28 O6a O 41.1321 -27.4037 #-
29 O6a O 39.9339 -25.2893
30 C1x C 34.1546 -29.5181
31 C1x C 33.4498 -30.7163
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 9 17 1
20 17 18 2
21 14 19 1
22 8 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 21 25 1 #Up
28 23 26 1 #Up
29 24 27 1
30 27 28 1
31 27 29 2
32 31 30 1
33 31 20 1
34 20 30 1
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