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204697-65-4 n-[2-[5-amino-1(s)-[4-(4-pyridinyl)piperazin-1-ylcarbonyl]pentylamino]-1(r)-(3,5-dibromo

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Product Name N-[2-[5-Amino-1(S)-[4-(4-pyridinyl)piperazin-1-ylcarbonyl]pentylamino]-1(R)-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl]-4-(2-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)piperidine-1-carboxamide
CAS No. 204697-65-4
Synonyms Olcegepant; BIBN-4096; BIBN-4096BS; N-{5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}tyrosinamide
InChI InChI=1/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)
Molecular Formula C38H47Br2N9O5
Molecular Weight 869.6451
Density 1.497g/cm3
Boiling point 1091.9°C at 760 mmHg
Flash point 614.1°C
Refractive index 1.643