U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry UNKNOWN
Molecular Formula C21H23ClN2O5
Molecular Weight 418.871
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MC-16

SMILES

CCN1C(=O)C(CC2=CC=CC(OC)=C2O)(OC(=O)N(C)C)C3=C1C=CC(Cl)=C3

InChI

InChIKey=PUVYPOUYNLKSNG-UHFFFAOYSA-N
InChI=1S/C21H23ClN2O5/c1-5-24-16-10-9-14(22)11-15(16)21(19(24)26,29-20(27)23(2)3)12-13-7-6-8-17(28-4)18(13)25/h6-11,25H,5,12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H23ClN2O5
Molecular Weight 418.871
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
9P2K5CXC5F
Record Status Validated (UNII)
Record Version