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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29N3O2
Molecular Weight 427.5381
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CN(C)[C@H]1CCCN(C(=O)C2=CC=C(NC(=O)C3=CC=CC=C3C)C=C2)C4=C1C=CC=C4

InChI

InChIKey=WRNXUQJJCIZICJ-DEOSSOPVSA-N
InChI=1S/C27H29N3O2/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)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H29N3O2
Molecular Weight 427.5381
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:13:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:23 GMT 2023
Record UNII
R19ZD2270O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOZAVAPTAN, (S)-
Common Name English
(S)-OPC-31260
Common Name English
BENZAMIDE, N-(4-(((5S)-5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-
Systematic Name English
BENZAMIDE, N-(4-((5-(DIMETHYLAMINO)-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)CARBONYL)PHENYL)-2-METHYL-, (S)-
Common Name English
(-)-OPC-31260
Common Name English
Code System Code Type Description
CAS
157378-41-1
Created by admin on Sat Dec 16 10:13:23 GMT 2023 , Edited by admin on Sat Dec 16 10:13:23 GMT 2023
PRIMARY
PUBCHEM
11441742
Created by admin on Sat Dec 16 10:13:23 GMT 2023 , Edited by admin on Sat Dec 16 10:13:23 GMT 2023
PRIMARY
FDA UNII
R19ZD2270O
Created by admin on Sat Dec 16 10:13:23 GMT 2023 , Edited by admin on Sat Dec 16 10:13:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER