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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3
Molecular Weight 311.3749
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTHEBAINE

SMILES

[H][C@]12CC3=C(C(OC)=CC=C3)C4=C1C(CCN2C)=CC(OC)=C4O

InChI

InChIKey=RQCOQZNIQLKGTN-ZDUSSCGKSA-N
InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
ISOTHEBAINE
MI  
Common Name English
(+)-ISOTHEBAINE
Common Name English
ISOTHEBAINE [MI]
Common Name English
NSC-290957
Code English
4H-DIBENZO(DE,G)QUINOLIN-1-OL, 5,6,6A,7-TETRAHYDRO-2,11-DIMETHOXY-6-METHYL-, (6AS)-
Systematic Name English
1-HYDROXY-2,11-DIMETHOXY-6A.ALPHA.-APORPHINE
Common Name English
Code System Code Type Description
CHEBI
6066
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY
CAS
568-21-8
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY
NSC
290957
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY
MERCK INDEX
m6542
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY Merck Index
FDA UNII
60CJ5Z6JA4
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY
PUBCHEM
11281
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID901024034
Created by admin on Sat Dec 16 08:49:35 GMT 2023 , Edited by admin on Sat Dec 16 08:49:35 GMT 2023
PRIMARY