Zoptarelin doxorubicin

Base Information

• Chemical Name: Zoptarelin doxorubicin
• CAS No.: 139570-93-7
• Molecular Formula: C91H117 N19 O26
• Molecular Weight: 1893.01
• European Community (EC) Number: 813-954-5
• UNII: 27844X2J29
• DSSTox Substance ID: DTXSID50161110
• NCI Thesaurus Code: C74025
• Wikidata: Q4651377
• Wikipedia: Zoptarelin_doxorubicin
• Mol file: 139570-93-7.mol

Synonyms:AEZS-108;AN-152;LHRH, lysine(6)-doxorubicin;luteinizing hormone-releasing factor (pig), 6-(N6-(5-(2-(4- ((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)- 1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11- dioxo-2-naphthacenyl)-2-oxoethoxy)-1,5-dioxopentyl)-D- lysine)-, (2S-cis)-;Lys(6)-LHRH-doxorubicin;ZEN-008;zoptarelin doxorubicin

Chemical Property of Zoptarelin doxorubicin

Chemical Property:

• PSA: 713.37000
• LogP: 3.58980
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 48
• Exact Mass: 1891.84171491
• Heavy Atom Count: 136
• Complexity: 4220

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCCC(=O)NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C(CO)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)O)N)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)O)N)O
• Recent ClinicalTrials: A Phase I/II Trial of AEZS-108 in Urothelial Cancer Patients Who Failed Platinum-chemotherapy
• Recent EU Clinical Trials: Randomised controlled study comparing AEZS-108 with doxorubicin as second line therapy for locally advanced, recurrent or metastatic endometrial cancer

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