Viewing Compound With Structures

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Compound Report Overview

Compound Name: ESTRAMUSTINE
Compound Identifier: 701428
Mol Structure 2D: 701428
Molecular Weight: 440
Formula: C23 H31 Cl2 N O3
Development Status: Launched outside US, not listed by FDA
SMILES: CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C2CCC1O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222332D 0 0.00000 0.00000 0^^ 33 36 0 1 0 999 V2000^ 2.3167 1.8208 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.3167 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.6042 0.5708 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.0083 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.1625 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6042 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0083 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.6042 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3292 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5583 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 -1.8917 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.2167 2.0958 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.2750 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5583 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2750 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8792 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8042 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1917 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2792 3.0625 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2375 -2.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -1.2875 -2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -3.4375 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2083 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0333 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6042 1.5333 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.8792 0.0333 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.5875 0.0833 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.2792 2.1208 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 10 1 0 0 0^ 5 9 1 0 0 0^ 6 5 1 0 0 0^ 7 6 2 0 0 0^ 8 1 1 0 0 0^ 9 8 1 0 0 0^ 10 18 1 0 0 0^ 11 3 1 0 0 0^ 12 2 1 0 0 0^ 13 6 1 0 0 0^ 14 4 1 0 0 0^ 15 1 1 0 0 0^ 16 4 2 0 0 0^ 17 7 1 0 0 0^ 18 21 1 0 0 0^ 19 11 1 0 0 0^ 20 15 1 0 0 0^ 21 13 2 0 0 0^ 1 22 1 1 0 0^ 15 23 1 1 0 0^ 24 28 1 0 0 0^ 25 29 1 0 0 0^ 26 14 1 0 0 0^ 27 14 1 0 0 0^ 28 26 1 0 0 0^ 29 27 1 0 0 0^ 3 30 1 1 0 0^ 5 31 1 6 0 0^ 2 32 1 6 0 0^ 15 33 1 6 0 0^ 20 12 1 0 0 0^ 5 3 1 0 0 0^ 7 19 1 0 0 0^ 18 17 2 0 0 0^M END^^
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