Viewing Compound With Structures

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Compound Report Overview

Compound Name: ECOMUSTINE
Compound Identifier: 702874
Mol Structure 2D: 702874
Molecular Weight: 312
Formula: C10 H18 Cl N3 O6
Development Status: Clinical, Phase I
SMILES: COC1CC(NC(=O)N(CCCl)N=O)C(O)C(CO)O1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223072D 0 0.00000 0.00000 0^^ 20 20 0 1 0 999 V2000^ -0.7875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7750 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3167 -1.4667 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.3458 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7750 2.4625 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3625 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3458 1.4833 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3625 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.9542 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3583 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0167 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8542 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0792 1.5125 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.3458 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8208 -3.3792 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -2.5208 3.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2792 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6625 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 4 1 1 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 7 1 0 0 0^ 6 10 1 0 0 0^ 7 2 1 0 0 0^ 8 2 1 0 0 0^ 9 3 1 0 0 0^ 10 8 1 0 0 0^ 11 1 2 0 0 0^ 12 9 2 0 0 0^ 13 3 1 0 0 0^ 7 14 1 6 0 0^ 10 15 1 6 0 0^ 5 16 1 1 0 0^ 17 19 1 0 0 0^ 18 16 1 0 0 0^ 19 13 1 0 0 0^ 20 15 1 0 0 0^ 6 5 1 0 0 0^M END^^
Structure View
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