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Details

Stereochemistry ACHIRAL
Molecular Formula C25H28ClN3O2
Molecular Weight 437.962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-5028442

SMILES

CN(C)CCN1C=C(C(=O)N2CCC3(CC2)OCC4=CC=CC=C34)C5=C1C=C(Cl)C=C5

InChI

InChIKey=QZXVLRCMAHJVIP-UHFFFAOYSA-N
InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3

HIDE SMILES / InChI
RO-5028442 (RG7713) is a potent and highly selective arginine vasopressin receptor 1A (V1a) antagonist. This compound has been studied for use in autistic spectrum disorder. A phase I study in adult male high-functioning autistic patients has been completed in 2016 and showed that blockade of the V1a receptor may improve social communication in adults with high-functioning ASD. Eye-tracking results showed an increase in biological motion orienting preference. Only mild or moderate adverse events were reported.

Originator

Approval Year

Name Type Language
RO-5028442
Common Name English
RO5028442
Preferred Name English
METHANONE, (6-CHLORO-1-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-3-YL)SPIRO(ISOBENZOFURAN-1(3H),4'-PIPERIDIN)-1'-YL-
Systematic Name English
(6-CHLORO-1-(2-(DIMETHYLAMINO)ETHYL)INDOL-3-YL)-SPIRO(1H-ISOBENZOFURAN-3,4'-PIPERIDINE)-1'-YL-METHANONE
Systematic Name English
Code System Code Type Description
ChEMBL
CHEMBL3545342
Created by admin on Mon Mar 31 23:13:23 GMT 2025 , Edited by admin on Mon Mar 31 23:13:23 GMT 2025
PRIMARY
CAS
920022-47-5
Created by admin on Mon Mar 31 23:13:23 GMT 2025 , Edited by admin on Mon Mar 31 23:13:23 GMT 2025
PRIMARY
DRUG BANK
DB12721
Created by admin on Mon Mar 31 23:13:23 GMT 2025 , Edited by admin on Mon Mar 31 23:13:23 GMT 2025
PRIMARY
FDA UNII
LZ0EU1YHCK
Created by admin on Mon Mar 31 23:13:23 GMT 2025 , Edited by admin on Mon Mar 31 23:13:23 GMT 2025
PRIMARY
PUBCHEM
59657596
Created by admin on Mon Mar 31 23:13:23 GMT 2025 , Edited by admin on Mon Mar 31 23:13:23 GMT 2025
PRIMARY