| Entry |
|
|---|
| Name |
Alendronic acid;
Alendronate;
(4-Amino-1-hydroxybutylidene)bisphosphonic acid
|
|---|
| Formula |
C4H13NO7P2
|
|---|
| Exact mass |
249.0167
|
|---|
| Mol weight |
249.096
|
|---|
| Structure |
|
|---|
| Remark |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M05 DRUGS FOR TREATMENT OF BONE DISEASES
M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
M05BA Bisphosphonates
M05BA04 Alendronic acid
D07119 Alendronic acid (INN)
Drug groups [BR:br08330]
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
DG00783 Alendronic acid
D07119 Alendronic acid
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Alkyl/Aryl transferases
FDPS
D07119 Alendronic acid (INN)
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| Other DBs |
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| KCF data |
ATOM 14
1 P1b P 22.2600 -24.5000
2 C1d C 23.5900 -24.5000
3 C1b C 23.5900 -22.6100
4 O1a O 23.5900 -25.8300
5 P1b P 24.9900 -24.5000
6 O1c O 26.3200 -24.5000
7 O1c O 20.8600 -24.5000
8 O1c O 22.2600 -23.1000
9 O1c O 24.9900 -23.1000
10 C1b C 24.7800 -21.9800
11 C1b C 24.7800 -20.5800
12 N1a N 25.9700 -19.8800
13 O1c O 22.2600 -25.8300
14 O1c O 24.9900 -25.8300
BOND 13
1 1 2 1
2 2 3 1
3 2 4 1
4 2 5 1
5 5 6 1
6 1 7 1
7 1 8 2
8 5 9 2
9 3 10 1
10 10 11 1
11 11 12 1
12 1 13 1
13 5 14 1
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