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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24NO3.I
Molecular Weight 441.3032
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINONE METHIODIDE

SMILES

[I-].COC1=CC=C2C[C@@H]3[C@@H]4C=CC(=O)C[C@]4(CC[N+]3(C)C)C2=C1O

InChI

InChIKey=MULUZLQJNWOMRS-JYRFYKTESA-N
InChI=1S/C19H23NO3.HI/c1-20(2)9-8-19-11-13(21)5-6-14(19)15(20)10-12-4-7-16(23-3)18(22)17(12)19;/h4-7,14-15H,8-11H2,1-3H3;1H/t14-,15+,19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23NO3
Molecular Weight 313.3908
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:33:44 GMT 2025
Edited
by admin
on Mon Mar 31 23:33:44 GMT 2025
Record UNII
603SA187XO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEBAINONE METHIODIDE
MI  
Common Name English
THEBAINONE METHIODIDE [MI]
Preferred Name English
MORPHINANIUM, 7,8-DIDEHYDRO-4-HYDROXY-3-METHOXY-17,17-DIMETHYL-6-OXO, IODIDE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m10698
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID50359914
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
PUBCHEM
90479529
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
CAS
6043-90-9
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY
FDA UNII
603SA187XO
Created by admin on Mon Mar 31 23:33:44 GMT 2025 , Edited by admin on Mon Mar 31 23:33:44 GMT 2025
PRIMARY