Teverelix
[CAS# 144743-92-0]

Identification

• Name: Teverelix
• Synonyms: Teverelix [Inn]
• Molecular Formula: C₇₄H₁₀₀ClN₁₅O₁₄
• Molecular Weight: 1459.15
• CAS Registry Number: 144743-92-0
• SMILES: [C@@H](CC(C)C)(NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CC=CN=C2)NC(=O)[C@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC5=CC4=C(C=CC=C4)C=C5)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N6CCC[C@@H]6C(=O)NC(C)C(N)=O
• InChI: 1S/C74H100ClN15O14/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104)/t45?,55-,56+,57+,58-,59+,60+,61-,62+,63-/m1/s1
• InChIKey: NOENHWMKHNSHGX-FAZSUBJTSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 1692.9°C at 760 mmHg (Cal.)
• Flash point: 977.6°C (Cal.)