Viewing Compound With Structures

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Compound Report Overview

Compound Name: DOTARIZINE
Compound Identifier: 704443
Mol Structure 2D: 704443
Molecular Weight: 401
Formula: C26 H28 N2 O2
Development Status: Preclinical
SMILES: C1COC(O1)(N2CCN(CC2)C(c3ccccc3)c4ccccc4)c5ccccc5
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222092D 0 0.00000 0.00000 0^^ 30 34 0 0 0 999 V2000^ -2.0250 -1.1042 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.2000 -0.5792 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.4000 0.3458 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.1917 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.7833 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2958 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5458 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4083 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4083 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1917 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3125 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6208 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7917 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3917 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5625 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1583 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7792 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9917 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3917 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6375 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5917 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1917 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 11 1 0 0 0^ 4 3 1 0 0 0^ 5 1 1 0 0 0^ 6 1 1 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 2 1 0 0 0^ 10 8 1 0 0 0^ 11 9 1 0 0 0^ 12 4 1 0 0 0^ 13 4 1 0 0 0^ 14 5 1 0 0 0^ 15 6 1 0 0 0^ 16 7 1 0 0 0^ 17 7 2 0 0 0^ 18 12 1 0 0 0^ 19 12 2 0 0 0^ 20 13 2 0 0 0^ 21 13 1 0 0 0^ 22 16 2 0 0 0^ 23 17 1 0 0 0^ 24 18 2 0 0 0^ 25 19 1 0 0 0^ 26 20 1 0 0 0^ 27 21 2 0 0 0^ 28 23 2 0 0 0^ 29 25 2 0 0 0^ 30 27 1 0 0 0^ 15 14 1 0 0 0^ 3 10 1 0 0 0^ 28 22 1 0 0 0^ 30 26 2 0 0 0^ 29 24 1 0 0 0^M END^^
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