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

Details

Stereochemistry MIXED
Molecular Formula C22H33N5O5
Molecular Weight 447.5279
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [4-METHOXY-5,6'-DIHYDROXY-BUSPIRONE]

SMILES

COC1=NC(N=CC1=O)N2CCN(CCCCN3C(=O)CC4(CCCC4)C(O)C3=O)CC2

InChI

InChIKey=NMTSNRBODZOAHA-UHFFFAOYSA-N
InChI=1S/C22H33N5O5/c1-32-19-16(28)15-23-21(24-19)26-12-10-25(11-13-26)8-4-5-9-27-17(29)14-22(6-2-3-7-22)18(30)20(27)31/h15,18,21,30H,2-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H33N5O5
Molecular Weight 447.5279
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:45:35 GMT 2023
Edited
by admin
on Sat Dec 16 13:45:35 GMT 2023
Record UNII
8IRG631FPB
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition