Olcegepant

Olcegepant
Clinical data
ATC code	None;
Identifiers
	IUPAC 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;
CAS Number	204697-65-4;
PubChem CID	6918509;
ChemSpider	5293706;
UNII	WOA5J8TX6M;
CompTox Dashboard (EPA)	DTXSID10174443 ;
Chemical and physical data
Formula	C38H47Br2N9O5
Molar mass	869.660 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6;
	InChI 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; Key:ITIXDWVDFFXNEG-JHOUSYSJSA-N;