Molecules/Mylotarg

Mylotarg

S-[(2R,3S,4S,6S)-6-[[(2R,3S,4R,5R,6R)-5-[(2S,4S,5R)-5-[acetyl(ethyl)amino]-4-methoxy-5-methyloxan-2-yl]oxy-6-[[(2S,9R)-13-[2-[[4-[2-[1-[4-(4-amino-4-oxobutoxy)phenyl]ethylidene]hydrazinyl]-2-methyl-4-oxobutan-2-yl]disulfanyl]ethylidene]-9-hydroxy-12-(methoxycarbonylamino)-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-4-hydroxy-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3-hydroxy-5-iodo-2-methoxy-6-methylbenzenecarbothioate

C73H97IN6O25S31681.70 g/molCID 168322462

Compare

Molecular Identity

Mylotarg

PubChem CID: 168322462

2D Structure

Properties

C₇₃H₉₇IN₆O₂₅S₃

Molecular Formula

1681.70

Molecular Weight

g/mol

1680.4710

Exact Mass

2.3

XLogP

Drug-like (Lipinski: < 5)

497

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3410

Complexity

SMILES

Canonical SMILES

SMILES: CCN(C(=O)C)C1(COC(CC1OC)OC2C(C(C(OC2OC3C#CC=CC#CC4(CC(=O)C(=C3C4=CCSSC(C)(C)CC(=O)NN=C(C)C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NOC6CC(C(C(O6)C)SC(=O)C7=C(C(=C(C(=C7OC)O)OC8C(C(C(C(O8)C)O)OC)O)I)C)O)O)C

Isomeric SMILES

SMILES: CCN(C(=O)C)[C@@]1(CO[C@H](C[C@@H]1OC)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#CC=CC#C[C@@]4(CC(=O)C(=C3C4=CCSSC(C)(C)CC(=O)NN=C(C)C5=CC=C(C=C5)OCCCC(=O)N)NC(=O)OC)O)C)NO[C@H]6C[C@@H]([C@@H]([C@H](O6)C)SC(=O)C7=C(C(=C(C(=C7OC)O)OC8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)OC)O)I)C)O)O)C

Synonyms(2)

MylotargIUPYOZANCCCTSM-HATVIOBMSA-N

Data from PubChem (NCBI)

This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.

Molecular Structure

Mylotarg

Loading structure...

Source: PubChem

Drug Network

Trials and conditions connected to Mylotarg

Loading drug network...