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Details

Stereochemistry RACEMIC
Molecular Formula C17H22N2O
Molecular Weight 270.3694
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHOXY-6,7-SECOAGROCLAVINE, (±)-

SMILES

CN[C@@H]1CC2=CN(OC)C3=CC=CC([C@H]1C=C(C)C)=C23

InChI

InChIKey=VORPYWZYXKOGHA-HUUCEWRRSA-N
InChI=1S/C17H22N2O/c1-11(2)8-14-13-6-5-7-16-17(13)12(9-15(14)18-3)10-19(16)20-4/h5-8,10,14-15,18H,9H2,1-4H3/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22N2O
Molecular Weight 270.3694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:51:48 GMT 2025
Edited
by admin
on Mon Mar 31 20:51:48 GMT 2025
Record UNII
IXF5V8BN66
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHOXY-6,7-SECOAGROCLAVINE, (±)-
Common Name English
BENZ(CD)INDOL-4-AMINE, 1,3,4,5-TETRAHYDRO-1-METHOXY-N-METHYL-5-(2-METHYL-1-PROPENYL)-, TRANS-
Preferred Name English
Code System Code Type Description
FDA UNII
IXF5V8BN66
Created by admin on Mon Mar 31 20:51:48 GMT 2025 , Edited by admin on Mon Mar 31 20:51:48 GMT 2025
PRIMARY
PUBCHEM
134160141
Created by admin on Mon Mar 31 20:51:48 GMT 2025 , Edited by admin on Mon Mar 31 20:51:48 GMT 2025
PRIMARY
CAS
105274-95-1
Created by admin on Mon Mar 31 20:51:48 GMT 2025 , Edited by admin on Mon Mar 31 20:51:48 GMT 2025
PRIMARY