| Entry |
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| Name |
Isothipendyl hydrochloride (JAN);
Andantol (TN)
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| Formula |
C16H19N3S. HCl
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| Exact mass |
321.1066
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| Mol weight |
321.8681
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| Structure |
     |
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| Activity |
Antihistaminic
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| Remark |
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| Target |
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| Pathway |
hsa04020 Calcium signaling pathway
hsa04080 Neuroactive ligand-receptor interaction | |
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| Interaction |
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| Structure map |
| Phenothiazines | | Histamine H1 receptor antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AA Antihistamines for topical use
D04AA22 Isothipendyl
D01143 Isothipendyl hydrochloride (JAN)
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AD Phenothiazine derivatives
R06AD09 Isothipendyl
D01143 Isothipendyl hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
H1-receptor [HSA:3269] [KO:K04149]
Isothipendyl [ATC:D04AA22 R06AD09]
D01143 Isothipendyl hydrochloride (JAN)
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| Other DBs |
CAS: 1225-60-1 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 21
1 C8x C 17.7983 -18.1282
2 C8x C 17.7983 -19.5298
3 C8x C 19.0150 -20.2305
4 C8x C 19.0150 -17.4275
5 C8y C 20.2246 -18.1282
6 C8y C 20.2184 -19.5298
7 S2x S 21.4292 -20.2356
8 N4y N 21.4412 -17.4326
9 C8y C 22.6520 -18.1386
10 C8y C 22.7092 -19.5364
11 C8x C 23.8435 -20.2463
12 C8x C 25.0604 -19.5583
13 C8x C 25.0731 -18.1605
14 N5x N 23.8688 -17.4506
15 C1b C 21.4472 -16.0311
16 C1c C 22.6639 -15.3356
17 N1c N 22.6700 -13.9341
18 C1a C 23.8746 -16.0414
19 C1a C 23.8867 -13.2386
20 C1a C 21.4592 -13.2282
21 X Cl 28.4228 -16.9956
BOND 22
1 5 4 2
2 4 1 1
3 1 2 2
4 9 10 2
5 10 11 1
6 11 12 2
7 12 13 1
8 13 14 2
9 14 9 1
10 2 3 1
11 8 15 1
12 5 6 1
13 15 16 1
14 6 7 1
15 16 17 1
16 7 10 1
17 16 18 1
18 9 8 1
19 17 19 1
20 8 5 1
21 17 20 1
22 3 6 2
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