Prazarelix
[CAS# 134457-28-6]

Identification

• Name: Prazarelix
• Synonyms: Prazarelix; Prazarelix [Inn]
• Molecular Formula: C₈₀H₁₀₂ClN₂₃O₁₂
• Molecular Weight: 1613.29
• CAS Registry Number: 134457-28-6
• SMILES: [C@](C(=O)N(C([C@@H](NC([C@H](N)CC1=CC=C(C=C1)NC2=N[NH]C(=N2)N)=O)CC(C)C)=O)C([C@@H](N)CC3=CC=C(C=C3)NC4=N[NH]C(=N4)N)=O)(N(C([C@H]5N(CCC5)C([C@@H](NC(C)C)CCCCN)=O)=O)C([C@@H](NC([C@H](N)CC6=CC=CN=C6)=O)CO)=O)(CC([C@H](NC(=O)C)CC8=CC=C7C=CC=CC7=C8)=O)C([C@H](N)CC9=CC=C(C=C9)Cl)=O
• InChI: 1S/C80H102ClN23O12/c1-44(2)34-63(94-68(109)58(84)37-48-20-27-55(28-21-48)92-78-96-76(87)98-100-78)72(113)103(70(111)60(86)38-49-22-29-56(30-23-49)93-79-97-77(88)99-101-79)75(116)80(67(108)57(83)36-47-18-25-54(81)26-19-47,41-66(107)62(91-46(5)106)40-50-17-24-52-13-6-7-14-53(52)35-50)104(73(114)64(43-105)95-69(110)59(85)39-51-12-10-32-89-42-51)74(115)65-16-11-33-102(65)71(112)61(90-45(3)4)15-8-9-31-82/h6-7,10,12-14,17-30,32,35,42,44-45,57-65,90,105H,8-9,11,15-16,31,33-34,36-41,43,82-86H2,1-5H3,(H,91,106)(H,94,109)(H,95,110)(H4,87,92,96,98,100)(H4,88,93,97,99,101)/t57-,58-,59-,60+,61+,62-,63+,64+,65+,80+/m1/s1
• InChIKey: PYYCUOLYHUDPHX-SURDQYEBSA-N

Properties

• Density: 1.375g/cm³ (Cal.)