LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone

Base Information

• Chemical Name: LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone
• CAS No.: 139570-70-0
• Molecular Formula: C79H98 N18 O18
• Molecular Weight: 1587.73
• DSSTox Substance ID: DTXSID40161109
• Mol file: 139570-70-0.mol

Synonyms:LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone;Lys(6)LHRH-glutaryl-2-(hydroxymethyl)anthraquinone;T 98;T-98

Chemical Property of LHRH, lysine(6)-glutaryl-2-(hydroxymethyl)anthraquinone

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 44
• Exact Mass: 1586.73064835
• Heavy Atom Count: 115
• Complexity: 3430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CCCCNC(=O)CCCC(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CO)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC8=CN=CN8)NC(=O)C9CCC(=O)N9
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CCCCNC(=O)CCCC(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@@H]9CCC(=O)N9