Viewing Compound With Structures

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Compound Report Overview

Compound Name: IRINOTECAN
Compound Identifier: 704527
Mol Structure 2D: 704527
Molecular Weight: 587
Formula: C33 H38 N4 O6
Development Status: US FDA Approved
SMILES: CCc1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222132D 0 0.00000 0.00000 0^^ 43 49 0 1 0 999 V2000^ 6.9792 -0.3125 0.0000 N 0 0 3 0 0 0 0 0 0^ 8.1417 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.4917 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.6417 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8042 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7042 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7042 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8042 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 -1.1542 0.0000 N 0 0 0 0 0 0 0 0 0^ 7.9917 -2.5917 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.4917 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4042 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7167 0.5333 0.0000 N 0 0 3 0 0 0 0 0 0^ 8.8292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2917 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.9792 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3167 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5000 1.7708 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.1792 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7458 1.3708 0.0000 C 0 0 3 0 0 0 0 0 0^ 8.2667 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5917 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0208 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7167 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0208 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4042 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8917 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.1250 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5917 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.1125 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.8667 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9417 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2000 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5000 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.4625 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.6542 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9208 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2083 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9333 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 1 1 0 0 0^ 4 2 2 0 0 0^ 5 1 1 0 0 0^ 6 3 1 0 0 0^ 7 11 1 0 0 0^ 8 3 2 0 0 0^ 9 6 1 0 0 0^ 10 4 1 0 0 0^ 11 1 1 0 0 0^ 12 21 1 0 0 0^ 13 7 1 0 0 0^ 14 12 1 0 0 0^ 15 19 1 0 0 0^ 16 13 2 0 0 0^ 17 9 2 0 0 0^ 18 2 1 0 0 0^ 19 18 1 0 0 0^ 20 22 1 0 0 0^ 21 30 1 0 0 0^ 22 26 1 0 0 0^ 23 5 2 0 0 0^ 24 16 1 0 0 0^ 25 27 1 0 0 0^ 26 28 1 0 0 0^ 27 14 1 0 0 0^ 28 14 1 0 0 0^ 29 12 2 0 0 0^ 30 24 2 0 0 0^ 31 15 2 0 0 0^ 32 17 1 0 0 0^ 33 10 1 0 0 0^ 34 32 2 0 0 0^ 10 35 1 6 0 0^ 36 13 1 0 0 0^ 37 20 1 0 0 0^ 38 20 1 0 0 0^ 39 35 1 0 0 0^ 40 36 1 0 0 0^ 41 37 1 0 0 0^ 42 38 1 0 0 0^ 43 42 1 0 0 0^ 6 7 2 0 0 0^ 8 4 1 0 0 0^ 17 16 1 0 0 0^ 10 15 1 0 0 0^ 34 30 1 0 0 0^ 25 22 1 0 0 0^ 41 43 1 0 0 0^M END^^
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