Entry |
|
Name |
Phenolphthalein;
3,3-Bis(4-hydroxyphenyl)phthalide
|
Formula |
C20H14O4
|
Exact mass |
318.0892
|
Mol weight |
318.3228
|
Structure |
|
Remark |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A06 DRUGS FOR CONSTIPATION
A06A DRUGS FOR CONSTIPATION
A06AB Contact laxatives
A06AB04 Phenolphthalein
D05456 Phenolphthalein (INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01770 Laxative
DG00070 Phenolphthalein
D05456 Phenolphthalein
|
Other DBs |
|
KCF data |
ATOM 24
1 C8x C 28.4200 -18.1300
2 C8y C 28.4200 -19.5300
3 C8x C 29.6100 -20.2300
4 C8x C 30.8700 -19.5300
5 C8y C 30.8700 -18.1300
6 C8x C 29.6100 -17.4300
7 C8x C 33.2500 -19.5300
8 C8y C 33.2500 -18.1300
9 C1z C 32.0600 -17.4300
10 C8x C 34.5100 -20.2300
11 C8y C 35.7000 -19.5300
12 C8x C 35.7000 -18.1300
13 C8x C 34.5100 -17.4300
14 O1a O 27.2300 -20.2300
15 O1a O 36.8900 -20.2300
16 O7x O 33.1800 -16.5900
17 C7x C 32.6900 -15.2600
18 C8y C 31.2900 -15.2600
19 C8y C 30.9400 -16.5900
20 C8x C 30.3800 -14.2800
21 C8x C 28.9800 -14.5600
22 C8x C 28.5600 -15.8900
23 C8x C 29.5400 -16.9400
24 O6a O 33.4600 -14.0700
BOND 27
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 2 14 1
16 11 15 1
17 9 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 9 19 1
22 18 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 19 23 2
27 17 24 2
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