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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO3.HI
Molecular Weight 427.2767
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINONE HYDRIODIDE

SMILES

I.[H][C@]12CC3=C(C(O)=C(OC)C=C3)[C@@]4(CCN1C)CC(=O)C=C[C@@]24[H]

InChI

InChIKey=AKROCZKDPNYTCH-KFIVTFPCSA-N
InChI=1S/C18H21NO3.HI/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

Approval Year

Unknown
86413
Name Type Language
THEBAINONE HYDRIODIDE
Common Name English
MORPHINAN-6-ONE, 7,8-DIDEHYDRO-4-HYDROXY-3-METHOXY-17-METHYL-, HYDRIODIDE
Systematic Name English
THEBAINONE HYDRIODIDE [MI]
MI  
Common Name English
Code System Code Type Description
CAS
5990-03-4
Created by admin on Sat Dec 16 10:02:30 UTC 2023 , Edited by admin on Sat Dec 16 10:02:30 UTC 2023
PRIMARY
MERCK INDEX
m10698
Created by admin on Sat Dec 16 10:02:30 UTC 2023 , Edited by admin on Sat Dec 16 10:02:30 UTC 2023
PRIMARY
FDA UNII
2I2598TE2H
Created by admin on Sat Dec 16 10:02:30 UTC 2023 , Edited by admin on Sat Dec 16 10:02:30 UTC 2023
PRIMARY
PUBCHEM
90479040
Created by admin on Sat Dec 16 10:02:30 UTC 2023 , Edited by admin on Sat Dec 16 10:02:30 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of THEBAINONE
NIH
NCATS
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