OLCEGEPANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H47Br2N9O5
Molecular Weight	869.645
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O)C(=O)N5CCN(CC5)C6=CC=NC=C6

InChI

InChIKey=ITIXDWVDFFXNEG-JHOUSYSJSA-N

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

HIDE SMILES / InChI

Molecular Formula	C38H47Br2N9O5
Molecular Weight	869.645
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:53:37 UTC 2023` Edited by `admin` on `Sat Dec 16 16:53:37 UTC 2023`
Record UNII	WOA5J8TX6M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

OLCEGEPANT

Official Name

English

Olcegepant [WHO-DD]

Common Name

English

BIBN 4096 BS

Code

English

BIBN-4096 BS

Code

English

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

Common Name

English

BIBN-4096BS

Code

English

olcegepant [INN]

Common Name

English

Code System Code Type Description

FDA UNII

WOA5J8TX6M