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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21FN2O2
Molecular Weight 364.4127
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMD-148107

SMILES

OC1=CC2=C(O[C@@H](CNCC3=CC(=CN=C3)C4=CC=C(F)C=C4)CC2)C=C1

InChI

InChIKey=LENKDTHQWOZOQV-OAQYLSRUSA-N
InChI=1S/C22H21FN2O2/c23-19-4-1-16(2-5-19)18-9-15(11-24-13-18)12-25-14-21-7-3-17-10-20(26)6-8-22(17)27-21/h1-2,4-6,8-11,13,21,25-26H,3,7,12,14H2/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H21FN2O2
Molecular Weight 364.4127
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 15:19:10 GMT 2023
Edited
by admin
on Sat Dec 16 15:19:10 GMT 2023
Record UNII
T82TF0IW7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-148107
Code English
2H-1-BENZOPYRAN-6-OL, 2-((((5-(4-FLUOROPHENYL)-3-PYRIDINYL)METHYL)AMINO)METHYL)-3,4-DIHYDRO-, (2R)-
Systematic Name English
SARIZOTAN METABOLITE M364A
Common Name English
EMD 148107
Code English
Code System Code Type Description
FDA UNII
T82TF0IW7W
Created by admin on Sat Dec 16 15:19:10 GMT 2023 , Edited by admin on Sat Dec 16 15:19:10 GMT 2023
PRIMARY
CAS
956229-58-6
Created by admin on Sat Dec 16 15:19:10 GMT 2023 , Edited by admin on Sat Dec 16 15:19:10 GMT 2023
PRIMARY
PUBCHEM
129837404
Created by admin on Sat Dec 16 15:19:10 GMT 2023 , Edited by admin on Sat Dec 16 15:19:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR