Viewing Compound With Structures

Home

Certify Doc

Genes

Clinical Trials

CompTox

DrugMatrix

Open Targets

Products

Support

Bugs

Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: CRONIDIPINE

Compound Identifier: 707030

Mol Structure 2D: 707030

Molecular Weight: 598

Formula: C30 H32 Cl N3 O8

Development Status: Clinical, Phase II/III

SMILES: COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC3COC4(CCN(CC4)c5ccc(Cl)cc5)O3)C

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100223092D 0 0.00000 0.00000 0^^ 42 46 0 1 0 999 V2000^ -0.0628 -3.5930 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1960 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5538 -3.2043 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.0524 -4.3119 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2001 -4.2631 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5923 -4.6616 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.1345 -1.4231 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7123 -3.2263 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8419 -3.2283 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8190 -0.1610 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.5053 -2.0798 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.4198 -1.4965 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8303 -1.2742 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7657 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1400 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3344 -3.6502 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1541 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1597 -0.7389 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8987 -2.5564 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7114 -2.5808 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8096 -2.5333 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.7649 0.9856 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8109 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2741 -2.1961 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9585 -3.2978 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4277 -3.5974 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.8166 1.5891 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6816 -4.6887 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8506 -4.6448 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1608 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1256 1.6009 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1463 2.1916 0.0000 Cl 0 0 0 0 0 0 0 0 0^ 3.0685 -3.2845 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7771 -0.9617 0.0000 N 0 3 0 0 0 0 0 0 0^ 0.5691 -2.3650 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1584 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1626 -1.9822 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7728 -0.2576 0.0000 O 0 5 0 0 0 0 0 0 0^ 2.4003 -1.3287 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.0621 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5355 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0666 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0^ 10 17 1 0 0 0^ 11 19 1 0 0 0^ 12 24 1 0 0 0^ 13 7 1 0 0 0^ 14 7 1 0 0 0^ 15 10 1 0 0 0^ 16 8 1 0 0 0^ 17 14 1 0 0 0^ 18 13 1 0 0 0^ 19 25 1 0 0 0^ 20 8 2 0 0 0^ 21 9 2 0 0 0^ 22 15 1 0 0 0^ 23 15 2 0 0 0^ 24 19 1 0 0 0^ 25 16 1 0 0 0^ 26 9 1 0 0 0^ 27 30 2 0 0 0^ 28 4 1 0 0 0^ 29 5 1 0 0 0^ 30 23 1 0 0 0^ 31 22 2 0 0 0^ 32 27 1 0 0 0^ 33 26 1 0 0 0^ 5 2 2 0 0 0^ 12 7 1 0 0 0^ 10 18 1 0 0 0^ 27 31 1 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 1 2 0 0 0^ 5 6 1 0 0 0^ 6 4 1 0 0 0^ 7 11 1 0 0 0^ 8 1 1 0 0 0^ 9 2 1 0 0 0^ 34 36 1 0 0 0^ 36 37 1 0 0 0^ 37 35 2 0 0 0^ 38 34 1 0 0 0^ 39 34 2 0 0 0^ 40 35 1 0 0 0^ 41 42 1 0 0 0^ 42 40 2 0 0 0^ 41 36 2 0 0 0^ 35 3 1 1 0 0^M CHG 2 34 1 38 -1^M END^^

Structure	View

View