COMPOUND: C16662
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Entry
C16662 Compound
Name
L-alpha-Acetyl-N,N-dinormethadol;
dinor-LAAM
Formula
C21H27NO2
Exact mass
325.2042
Mol weight
325.4446
Structure
Mol file
KCF file
DB search
Reaction
R08342
Pathway
map00982
Drug metabolism - cytochrome P450
Enzyme
1.14.14.-
Other DBs
CAS:
54276-34-5
PubChem:
51090986
ChEBI:
80648
NIKKAJI:
J474.574D
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KCF data
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ATOM 24
1 C8x C 21.8627 -21.7687
2 C8x C 21.8627 -23.0990
3 C8x C 23.0530 -23.7992
4 C8x C 24.2433 -23.0990
5 C8y C 24.2433 -21.7687
6 C8x C 23.0530 -21.0684
7 C8x C 26.6240 -23.0990
8 C8y C 26.6240 -21.7687
9 C1d C 25.4336 -21.0684
10 C8x C 27.7442 -23.7992
11 C8x C 28.9345 -23.0990
12 C8x C 28.9345 -21.7687
13 C8x C 27.7442 -21.0684
14 C1b C 25.4336 -19.6681
15 C1c C 26.6240 -19.0380
16 C1c C 23.4031 -19.9482
17 C1a C 27.7442 -19.6681
18 N1a N 26.6240 -17.6376
19 O7a O 23.4031 -18.6179
20 C1b C 22.2128 -20.6484
21 C1a C 21.0925 -19.9482
22 C7a C 22.2128 -17.9176
23 C1a C 21.0225 -18.6179
24 O6a O 22.2128 -16.5172
BOND 25
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 9 16 1
18 15 17 1
19 15 18 1 #Up
20 16 19 1 #Down
21 16 20 1
22 20 21 1
23 19 22 1
24 22 23 1
25 22 24 2
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