COMPOUND: C22732
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Entry
C22732 Compound
Name
Dihydroetorphine;
7,8-Dihydro-7alpha-[1-(R)-hydroxy-1-methylbutyl]-6,14-endo-ethanotetrahydrooripavine
Formula
C25H35NO4
Exact mass
413.2566
Mol weight
413.55
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22732
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Other DBs
CAS:
14357-76-7
PubChem:
497620087
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KCF data
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ATOM 30
1 C1z C 18.1973 -15.6777
2 C1z C 19.3871 -16.3776
3 C1y C 17.0075 -16.3076
4 C8y C 18.1973 -14.2779
5 C1x C 19.3871 -14.9778
6 C1y C 20.5769 -15.6777
7 C1x C 19.3871 -17.7074
8 C1x C 18.8272 -17.3574
9 C1z C 17.0075 -17.7074
10 O2x O 16.3776 -14.7678
11 C8y C 17.0075 -13.6480
12 C8y C 19.3871 -13.6480
13 C1x C 21.7667 -14.9078
14 N1y N 21.7667 -16.3776
15 C1x C 20.5769 -14.3479
16 C1y C 18.1973 -18.4073
17 C1x C 17.6374 -16.7975
18 O2a O 15.6077 -17.7074
19 C8y C 17.0075 -12.2482
20 C8x C 19.3871 -12.2482
21 C1a C 22.9566 -15.6777
22 C1d C 18.1973 -19.7371
23 C1a C 14.3479 -18.6172
24 C8x C 18.2673 -11.5483
25 O1a O 15.8876 -11.5483
26 C1b C 19.3171 -20.4369
27 O1a O 16.9375 -20.4369
28 C1a C 16.9375 -19.0372
29 C1b C 20.5069 -19.7371
30 C1a C 21.6968 -20.4369
BOND 35
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 1
5 2 7 1
6 2 8 1 #Down
7 3 9 1
8 3 10 1 #Down
9 4 11 1
10 4 12 2
11 5 13 1
12 6 14 1 #Up
13 6 15 1
14 7 16 1
15 8 17 1
16 9 18 1
17 11 19 2
18 12 20 1
19 14 21 1
20 16 22 1
21 18 23 1
22 19 24 1
23 19 25 1
24 22 26 1
25 22 27 1 #Up
26 22 28 1 #Down
27 26 29 1
28 9 16 1
29 9 17 1 #Down
30 10 11 1
31 12 15 1
32 14 13 1 #Up
33 20 24 2
34 29 30 1
35 1 2 1
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