Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04AAR
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| Former ID |
DIB015281
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| Drug Name |
XB-513
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| Synonyms |
140941-86-2; XB-513; 3-Pyridinecarboxylicacid,2-amino-1,4-dihydro-4-[2-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]sulfinyl]phenyl]-6-methyl-5-nitro-,methyl ester; XB 513; JQTJGLURUUNKCA-UHFFFAOYSA-N; ACMC-20mzxr; AC1L4DOE; SCHEMBL7379746; CTK4C2408; AKOS030566276; 2-Amino-1,4-dihydro-4-(2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butylsulfinyl)phenyl)-6-methyl-5-nitro-3-pyridinecarboxylic acid methyl ester; L006210; 3-Pyridinecarboxylic acid, 2-amino-1,4-dihydro-4-(2-((4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)sulfinyl)
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| Drug Type |
Small molecular drug
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| Indication | Cardiac failure [ICD-11: BD10-BD13; ICD-10: I50, I50.9] | Terminated | [1] | |
| Company |
Bristol-Myers Squibb Pharma Co
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| Structure |
 |
Download2D MOL |
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| Formula |
C29H37N5O6S
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| Canonical SMILES |
CC1=C(C(C(=C(N1)N)C(=O)OC)C2=CC=CC=C2S(=O)CCCCN3CCN(CC3)C4=CC=CC=C4OC)[N+](=O)[O-]
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| InChI |
1S/C29H37N5O6S/c1-20-27(34(36)37)25(26(28(30)31-20)29(35)40-3)21-10-4-7-13-24(21)41(38)19-9-8-14-32-15-17-33(18-16-32)22-11-5-6-12-23(22)39-2/h4-7,10-13,25,31H,8-9,14-19,30H2,1-3H3
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| InChIKey |
JQTJGLURUUNKCA-UHFFFAOYSA-N
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| CAS Number |
CAS 140941-86-2
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002112) | |||
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