Entry
Name
Prenylamine lactate (JAN); Segontin (TN)
Formula
C24H27N. C3H6O3
Exact mass
419.2460
Mol weight
419.55
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Vasodilator (coronary)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01D VASODILATORS USED IN CARDIAC DISEASES
C01DX Other vasodilators used in cardiac diseases
C01DX02 Prenylamine
D02167 Prenylamine lactate (JAN)
BRITE hierarchy
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KCF data
Show ATOM 31
1 O1a O 35.6302 -18.7600
2 C1c C 36.8426 -19.4601
3 C6a C 38.0551 -18.7600
4 O6a O 39.2675 -19.4601
5 C1a C 36.8426 -20.8601
6 O6a O 38.0551 -17.3600
7 C1c C 27.7900 -18.0600
8 C8y C 26.6000 -18.7600
9 C8y C 28.9800 -18.7600
10 C1b C 27.7900 -16.6600
11 C8x C 26.6000 -20.1600
12 C8x C 25.3400 -18.0600
13 C8x C 28.9800 -20.1600
14 C8x C 30.1700 -17.9900
15 C1b C 28.9800 -15.9600
16 C8x C 25.3400 -20.8600
17 C8x C 24.1500 -18.7600
18 C8x C 30.2400 -20.8600
19 C8x C 31.4300 -18.6900
20 C8x C 24.1500 -20.1600
21 C8x C 31.4300 -20.0900
22 N1b N 30.1700 -16.6600
23 C1c C 31.3600 -15.9600
24 C1b C 32.5500 -16.6600
25 C1a C 31.3600 -14.5600
26 C8y C 33.7400 -15.9600
27 C8x C 34.9300 -16.6600
28 C8x C 36.1900 -15.9600
29 C8x C 36.1900 -14.5600
30 C8x C 35.0000 -13.8600
31 C8x C 33.7400 -14.5600
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 1
5 3 6 2
6 7 8 1
7 7 9 1
8 7 10 1
9 8 11 1
10 8 12 2
11 9 13 2
12 9 14 1
13 10 15 1
14 11 16 2
15 12 17 1
16 13 18 1
17 14 19 2
18 16 20 1
19 18 21 2
20 17 20 2
21 19 21 1
22 15 22 1
23 22 23 1
24 23 24 1
25 23 25 1
26 24 26 1
27 26 27 2
28 27 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 26 31 1