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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO3.ClH
Molecular Weight 335.825
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINONE HYDROCHLORIDE

SMILES

Cl.COC1=CC=C2C[C@@H]3[C@@H]4C=CC(=O)C[C@]4(CCN3C)C2=C1O

InChI

InChIKey=NUFACJIBMXXVQG-KFIVTFPCSA-N
InChI=1S/C18H21NO3.ClH/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18;/h3-6,13-14,21H,7-10H2,1-2H3;1H/t13-,14+,18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H21NO3
Molecular Weight 299.3642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:59:12 GMT 2025
Edited
by admin
on Mon Mar 31 22:59:12 GMT 2025
Record UNII
7SA47PHC68
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEBAINONE HYDROCHLORIDE
Common Name English
MORPHINAN-6-ONE, 7,8-DIDEHYDRO-4-HYDROXY-3-METHOXY-17-METHYL-, HYDROCHLORIDE
Preferred Name English
Code System Code Type Description
PUBCHEM
162623513
Created by admin on Mon Mar 31 22:59:12 GMT 2025 , Edited by admin on Mon Mar 31 22:59:12 GMT 2025
PRIMARY
FDA UNII
7SA47PHC68
Created by admin on Mon Mar 31 22:59:12 GMT 2025 , Edited by admin on Mon Mar 31 22:59:12 GMT 2025
PRIMARY
CAS
5140-33-0
Created by admin on Mon Mar 31 22:59:12 GMT 2025 , Edited by admin on Mon Mar 31 22:59:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE