Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00122
|
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| Drug Name |
MYO-inositol
|
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| Synonyms |
1D-Chiro-inositol; 1L-Chiro-inositol; 488-59-5; 643-12-9; 6917-35-7; 87-89-8; Allo-inositol; Cocositol; Cyclohexane-1,2,3,4,5,6-hexaol; Cyclohexitol; D-(+)-chiro-Inositol; D-chiro-Inositol; Dambose; Inosital; Inosite; Inositene; Inositina; Iso-inositol; Meat sugar; Mesoinosit; Mesoinosite; Muco-Inositol; Myoinosite; Neo-inositol; Phaseomannite; Phaseomannitol; Quercinitol; Scyllite; Scyllitol; Scyllo-inositol; cis-Inositol; cyclohexane-1,2,3,4,5,6-hexol; epi-Inositol; i-Inositol; inositol; meso-Inositol; mesoinositol
|
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| Drug Type |
Small molecular drug
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| Indication | Polycystic ovary syndrome [ICD11:5A80.1] | Phase 4 | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C6H12O6
|
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| Canonical SMILES |
C1(C(C(C(C(C1O)O)O)O)O)O
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| InChI |
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
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| InChIKey |
CDAISMWEOUEBRE-UHFFFAOYSA-N
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| CAS Number |
CAS 173524-45-3
|
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| Pharmaceutical Properties | Molecular Weight | 180.16 | Topological Polar Surface Area | 121 | ||
| Heavy Atom Count | 12 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 6 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
-3.7
|
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| PubChem CID | ||||||
| PubChem SID |
10523934
,10523935
,10523936
,105284
,105285
,105291
,10531552
,10537350
,10548140
,11364489
,11367051
,11369613
,11371925
,11375023
,11377775
,11446130
,11455636
,11490868
,11493007
,11495409
,2958
,3133547
,3155010
,3155011
,3437
,405648
,419053
,474354
,594439
,594440
,606061
,6332601
,73813
,7888419
,8137917
,8138252
,8138293
,8138294
,8141702
,8145718
,8146839
,8146881
,8150849
,820280
,822652
,8408
,8409
,841533
,86405
,99187
|
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| ChEBI ID |
ChEBI:17268
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | SMIT | Transporter Info | Sodium/myo-inositol cotransporter | Substrate | [2] | |
| SMIT2 | Transporter Info | Sodium/myo-inositol cotransporter 2 | Substrate | [3] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01540747) Role of Melatonin Supplementation in Follicular Fluid of in Vitro Fertilization (IVF) Patients With Polycystic Ovarian Syndrome | |||||
| 2 | Identification of a novel Na+/myo-inositol cotransporter. J Biol Chem. 2002 Sep 20;277(38):35219-24. | |||||
| 3 | The sodium/glucose cotransport family SLC5. Pflugers Arch. 2004 Feb;447(5):510-8. | |||||
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