Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08NTD
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| Former ID |
DIB007809
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| Drug Name |
Trappsol Cyclo
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| Synonyms |
Cyclodextrin (Niemann Pick Type C), CTD Holdings
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|
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| Drug Type |
Small molecular drug
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| Indication | Niemann-pick disease [ICD-11: 5C56.0Y] | Investigative | [1] | |
| Company |
CTD Holdings Inc
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| Structure |
 |
Download2D MOL |
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| Formula |
C63H112O42
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| Canonical SMILES |
CC(COCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)O)O)O
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| InChI |
1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
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| InChIKey |
ODLHGICHYURWBS-LKONHMLTSA-N
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| CAS Number |
CAS 107745-73-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954. | |||
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