Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)

Base Information

• Chemical Name: Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)
• CAS No.: 71033-95-9
• Molecular Formula: C58H80N14O13•^{3/2ClH•3H2O}
• Molecular Weight: 1290.09
• DSSTox Substance ID: DTXSID10221269
• ChEMBL ID: CHEMBL3273277
• Mol file: 71033-95-9.mol

Synonyms:Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6);71033-95-9;CHEMBL3273277;DTXSID10221269;LS-88229;C58H80N14O13.3/2ClH.3H2O;C58-H80-N14-O13.3/2Cl-H.3H2-O

Chemical Property of Z-(Leu(sup 1)-des-His(sup 2))-LHRH hydrochloride hydrate (2:3:6)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 33
• Exact Mass: 1216.5796064
• Heavy Atom Count: 86
• Complexity: 2270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(C)C)NC(=O)OCC5=CC=CC=C5.Cl
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)OCC5=CC=CC=C5.Cl