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

Details

Stereochemistry UNKNOWN
Molecular Formula C18H27NO2
Molecular Weight 289.4125
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(7-((DIMETHYLAMINO)METHYL)-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)CYCLOHEXANOL, (+)-

SMILES

COC1=CC2=C(CC2(CN(C)C)C3(O)CCCCC3)C=C1

InChI

InChIKey=UBIQMAFTTDZGEX-UHFFFAOYSA-N
InChI=1S/C18H27NO2/c1-19(2)13-17(18(20)9-5-4-6-10-18)12-14-7-8-15(21-3)11-16(14)17/h7-8,11,20H,4-6,9-10,12-13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H27NO2
Molecular Weight 289.4125
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:33:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:33:00 GMT 2023
Record UNII
S8XT6RJ44E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(7-((DIMETHYLAMINO)METHYL)-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)CYCLOHEXANOL, (+)-
Common Name English
(+)-1-(7-((DIMETHYLAMINO)METHYL)-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)CYCLOHEXANOL
Systematic Name English
CYCLOHEXANOL, 1-(7-((DIMETHYLAMINO)METHYL)-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)-, (+)-
Systematic Name English
Code System Code Type Description
CAS
700802-13-7
Created by admin on Sat Dec 16 18:33:00 GMT 2023 , Edited by admin on Sat Dec 16 18:33:00 GMT 2023
PRIMARY
FDA UNII
S8XT6RJ44E
Created by admin on Sat Dec 16 18:33:00 GMT 2023 , Edited by admin on Sat Dec 16 18:33:00 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY