U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34ClN5O4.C4H4O4
Molecular Weight 692.158
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of UCB-35440 FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.NC(=O)N(O)CCC#CC1=CC=C(OCCN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(Cl)C=C4)C(=C1)C(N)=O

InChI

InChIKey=LIIVZBKMTGRYTD-ATWZRPTOSA-N
InChI=1S/C31H34ClN5O4.C4H4O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39;5-3(6)1-2-4(7)8/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39);1-2H,(H,5,6)(H,7,8)/b;2-1+/t29-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
UCB-35440 FUMARATE
Common Name English
BENZAMIDE, 5-(4-((AMINOCARBONYL)HYDROXYAMINO)-1-BUTYNYL)-2-(2-(4-((R)-(4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, (2E)-2-BUTENEDIOATE (1:1) (SALT)
Systematic Name English
5-(4-(CARBAMOYL(HYDROXY)AMINO)BUT-1-YNYL)-2-(2-(4-((R)-(4-CHLOROPHENYL)-PHENYL-METHYL)PIPERAZIN-1-YL)ETHOXY)BENZAMIDE; FUMARIC ACID
Systematic Name English
UCB-35440 FUMARATE SALT (1:1)
Common Name English
Code System Code Type Description
CAS
299461-16-8
Created by admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
PRIMARY
FDA UNII
ZAP3LN9EEA
Created by admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
PRIMARY
PUBCHEM
15948993
Created by admin on Sat Dec 16 18:53:17 GMT 2023 , Edited by admin on Sat Dec 16 18:53:17 GMT 2023
PRIMARY