Details of the Drug

General Information of Drug (ID: DMMYQWZ)

Drug Name

XB-513

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)

Indication

Disease Entry	ICD 11	Status	REF
Cardiac failure	BD10-BD13	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C29H37N5O6S
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-]
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
InChIKey: JQTJGLURUUNKCA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 183813
CAS Number: 140941-86-2
TTD ID: D04AAR

References

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)