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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29N3O2.ClH
Molecular Weight 463.999
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOZAVAPTAN HYDROCHLORIDE, (S)-

SMILES

Cl.CN(C)[C@H]1CCCN(C(=O)C2=CC=C(NC(=O)C3=C(C)C=CC=C3)C=C2)C4=C1C=CC=C4

InChI

InChIKey=MOROBKPIULFQDC-JIDHJSLPSA-N
InChI=1S/C27H29N3O2.ClH/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30;/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31);1H/t24-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MOZAVAPTAN HYDROCHLORIDE, (S)-
Common Name English
BENZAMIDE, N-(4-((5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-, MONOHYDROCHLORIDE, (S)-
Preferred Name English
BENZAMIDE, N-(4-(((5S)-5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
76960768
Created by admin on Mon Mar 31 23:06:57 GMT 2025 , Edited by admin on Mon Mar 31 23:06:57 GMT 2025
PRIMARY
FDA UNII
IT24O856WK
Created by admin on Mon Mar 31 23:06:57 GMT 2025 , Edited by admin on Mon Mar 31 23:06:57 GMT 2025
PRIMARY
CAS
138470-69-6
Created by admin on Mon Mar 31 23:06:57 GMT 2025 , Edited by admin on Mon Mar 31 23:06:57 GMT 2025
PRIMARY