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Substance Name: Olcegepant [INN]
RN: 204697-65-4
UNII: WOA5J8TX6M
InChIKey: ITIXDWVDFFXNEG-JHOUSYSJSA-N

Classification Codes

  • Calcitonin Gene-Related Peptide (CGRP) Receptor Antagonist
  • Treatment of Migraine Attacks

Molecular Weight

  • 869.6553
 
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Names and Synonyms

Name of Substance

  • Olcegepant
  • Olcegepant [INN]

Synonyms

  • BIBN 4096
  • BIBN 4096 BS
  • BIBN 4096BS
  • BIBN-4096
  • N-((1R)-2-(((1S)-5-Amino-1-((4-(pyridin-4-yl)piperazin-1-yl)carbonyl)pentyl)amino)-1-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide
  • Olcegepant
  • UNII-WOA5J8TX6M

Systematic Name

  • N-((1R)-2-(((1S)-5-Amino-1-((4-(pyridin-4-yl)piperazin-1-yl)carbonyl)pentyl)amino)-1-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide

Registry Numbers

CAS Registry Number

  • 204697-65-4

FDA UNII

  • WOA5J8TX6M

System Generated Number

  • 0204697654

Structure Descriptors

InChI

1S/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)/t32-,33+/m0/s1

InChIKey

ITIXDWVDFFXNEG-JHOUSYSJSA-N

Smiles

C1(N(Cc2ccccc2N1)C1CCN(C(N[C@@H](C(N[C@H](C(N2CCN(CC2)c2ccncc2)=O)CCCCN)=O)Cc2cc(c(O)c(c2)Br)Br)=O)CC1)=O