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

Details

Stereochemistry RACEMIC
Molecular Formula C27H29N3O2.ClH
Molecular Weight 463.999
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOZAVAPTAN HYDROCHLORIDE

SMILES

Cl.CN(C)C1CCCN(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3C)C=C2)C4=C1C=CC=C4

InChI

InChIKey=MOROBKPIULFQDC-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H29N3O2
Molecular Weight 427.5381
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:50:38 UTC 2023
Edited
by admin
on Sat Dec 16 05:50:38 UTC 2023
Record UNII
F39AR1YW1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOZAVAPTAN HYDROCHLORIDE
WHO-DD  
Common Name English
Mozavaptan hydrochloride [WHO-DD]
Common Name English
MOZAVAPTANE HYDROCHLORIDE
JAN  
Common Name English
MOZAVAPTANE HYDROCHLORIDE [JAN]
Common Name English
BENZAMIDE, N-(4-((5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZAMIDE, N-(4-((5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-, MONOHYDROCHLORIDE, (±)-
Common Name English
MOZAVAPTAN HYDROCHLORIDE [MI]
Common Name English
N-(4-(((5RS)-5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-BENZO(B)AZEPIN-1-YL)CARBONYL(PHENYL)-2-METHYLBENZAMIDE MONOHYDROCHLORIDE
Common Name English
PHYSULINE
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C2180
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C132047
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
PUBCHEM
636389
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
EVMPD
SUB90651
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID90930125
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
FDA UNII
F39AR1YW1O
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
CAS
138470-70-9
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
SMS_ID
100000141041
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
MERCK INDEX
m11874
Created by admin on Sat Dec 16 05:50:38 UTC 2023 , Edited by admin on Sat Dec 16 05:50:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY