Details of the Drug

General Information of Drug (ID: DM3LZVE)

Drug Name

TJN-505

Synonyms

Contortumine; AC1MIXJU; 20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate), (1alpha,14alpha,16beta)-; 131653-96-8; (1alpha,14alpha,16beta)-20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol 14-(4-methoxybenzoate); Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, 14-(4-methoxybenzoate), (1alpha,14alpha,16beta)-

Indication

Disease Entry	ICD 11	Status	REF
Heart arrhythmia	BC65	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C30H42ClNO7
Canonical SMILES: CCN1CC2CCC(C34C2CC(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC.Cl
InChI: 1S/C30H41NO7.ClH/c1-5-31-15-17-8-11-22(36-3)30-19(17)12-20(25(30)31)28(33)14-23(37-4)29(34)13-21(30)24(28)26(29)38-27(32)16-6-9-18(35-2)10-7-16;/h6-7,9-10,17,19-26,33-34H,5,8,11-15H2,1-4H3;1H
InChIKey: OTWHFNPJXVKZPR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 73745515
CAS Number: 141426-86-0
TTD ID: D05RDE

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 800007726)