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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20N2O4
Molecular Weight 316.3517
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MJ-451

SMILES

CC1(C)OC2=CC=C(C=C2[C@H]([C@@H]1O)N3[C@H](CO)CCC3=O)C#N

InChI

InChIKey=PBEGNZBJXJTFMB-XZJROXQQSA-N
InChI=1S/C17H20N2O4/c1-17(2)16(22)15(19-11(9-20)4-6-14(19)21)12-7-10(8-18)3-5-13(12)23-17/h3,5,7,11,15-16,20,22H,4,6,9H2,1-2H3/t11-,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20N2O4
Molecular Weight 316.3517
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:04:48 GMT 2025
Edited
by admin
on Mon Mar 31 21:04:48 GMT 2025
Record UNII
2MDK92975H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1-BENZOPYRAN-6-CARBONITRILE, 3,4-DIHYDRO-3-HYDROXY-4-((2S)-2-(HYDROXYMETHYL)-5-OXO-1-PYRROLIDINYL)-2,2-DIMETHYL-, (3S,4R)-
Preferred Name English
MJ-451
Common Name English
2H-1-BENZOPYRAN-6-CARBONITRILE, 3,4-DIHYDRO-3-HYDROXY-4-(2-(HYDROXYMETHYL)-5-OXO-1-PYRROLIDINYL)-2,2-DIMETHYL-, (3S-(3.ALPHA.,4.BETA.(R*)))-
Systematic Name English
Code System Code Type Description
PUBCHEM
9818365
Created by admin on Mon Mar 31 21:04:48 GMT 2025 , Edited by admin on Mon Mar 31 21:04:48 GMT 2025
PRIMARY
CAS
129655-17-0
Created by admin on Mon Mar 31 21:04:48 GMT 2025 , Edited by admin on Mon Mar 31 21:04:48 GMT 2025
PRIMARY
FDA UNII
2MDK92975H
Created by admin on Mon Mar 31 21:04:48 GMT 2025 , Edited by admin on Mon Mar 31 21:04:48 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY