Details of the Drug

General Information of Drug (ID: DMSZCNP)

Drug Name

Gadocoletic acid

Synonyms

Gadocoletic acid trisodium; B-22956; B-22956/1

Indication

Disease Entry	ICD 11	Status	REF
Coronary artery disease	BA80	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C41H63GdN4O14
Canonical SMILES: [H+].[H+].[H+].CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)NC(=O)CCC(C(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])C)O)C.[Gd+3]
InChI: 1S/C41H66N4O14.Gd/c1-24(4-11-34(48)49)28-7-8-29-27-6-5-25-18-26(12-13-40(25,2)30(27)19-32(46)41(28,29)3)42-33(47)10-9-31(39(58)59)45(16-14-43(20-35(50)51)21-36(52)53)17-15-44(22-37(54)55)23-38(56)57;/h24-32,46H,4-23H2,1-3H3,(H,42,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59);/q;+3/p-3/t24-,25-,26+,27+,28-,29+,30+,31+,32+,40+,41-;/m1./s1
InChIKey: FKRQJRDGWNLYFA-CFIJWHLBSA-K

Cross-matching ID

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 800019307)