Entry
Name
Emetine hydrochloride (USP)
Formula
C29H40N2O4. 2HCl
Exact mass
552.2522
Mol weight
553.56
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Antiprotozoal, Emetic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AX Other agents against amoebiasis and other protozoal diseases
P01AX02 Emetine
D03985 Emetine hydrochloride (USP)
Antimicrobials [BR:br08307 ]
Antiparasitics
Agents against Amebiasis and other antiprotozoals
Others
D03985 Emetine hydrochloride (USP)
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 37
1 X Cl 25.5631 -34.5642
2 C1y C 18.4100 -27.1600
3 C8y C 17.2200 -26.4600
4 N1y N 19.6700 -26.4600
5 C1x C 18.4100 -28.5600
6 C8y C 17.2200 -25.0600
7 C8x C 16.0300 -27.1600
8 C1x C 20.8600 -27.1600
9 C1x C 19.6700 -25.0600
10 C1y C 19.6000 -29.2600
11 C8x C 16.0300 -24.3600
12 C1x C 18.4100 -24.3600
13 C8y C 14.7700 -26.4600
14 C1y C 20.7900 -28.5600
15 C8y C 14.7700 -25.0600
16 O2a O 13.5800 -27.1600
17 C1b C 22.0500 -29.2600
18 O2a O 13.5800 -24.3600
19 C1a C 12.3900 -26.4600
20 C1a C 23.2400 -28.5600
21 C1a C 12.3900 -25.0600
22 C1b C 19.6000 -30.6600
23 C1y C 18.4100 -31.3600
24 C8y C 18.3400 -32.7600
25 N1x N 17.2200 -30.6600
26 C8y C 17.1500 -33.4600
27 C8x C 19.5300 -33.4600
28 C1x C 15.9600 -31.2900
29 C8x C 17.0800 -34.8600
30 C1x C 15.9600 -32.6900
31 C8y C 19.5300 -34.8600
32 C8y C 18.2700 -35.5600
33 O2a O 20.7200 -35.6300
34 O2a O 18.2700 -36.9600
35 C1a C 17.0800 -37.6600
36 C1a C 20.7200 -37.0300
37 X Cl 25.5631 -34.5642
BOND 39
1 2 3 1
2 2 4 1
3 2 5 1
4 3 6 2
5 3 7 1
6 4 8 1
7 4 9 1
8 5 10 1
9 6 11 1
10 6 12 1
11 7 13 2
12 8 14 1
13 11 15 2
14 13 16 1
15 14 17 1 #Down
16 15 18 1
17 16 19 1
18 17 20 1
19 18 21 1
20 9 12 1
21 10 14 1
22 13 15 1
23 22 23 1
24 23 24 1
25 23 25 1
26 24 26 2
27 24 27 1
28 25 28 1
29 26 29 1
30 26 30 1
31 27 31 2
32 29 32 2
33 31 33 1
34 32 34 1
35 28 30 1
36 31 32 1
37 34 35 1
38 10 22 1 #Up
39 33 36 1
BRACKET 1 23.9400 -35.3500 23.9400 -33.6000
1 26.6000 -33.6000 26.6000 -35.3500
1 2
ORIGINAL 1 1
REPEAT 1 39