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 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINE

SMILES

[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@]([H])(C4)C5=CC=C2OC

InChI

InChIKey=FQXXSQDCDRQNQE-VMDGZTHMSA-N
InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Partial Agonist
290
 5.6 µM [EC50]
Patents

Patents

07928234
6
JP2010111656A
8
JPS51151316A
6
Name Type Language
THEBAINE
MI   WHO-DD  
Common Name English
CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
CODEINE PHOSPHATE HEMIHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
OXYCODONE HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Common Name English
Thebaine [WHO-DD]
Common Name English
CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
CODEINE MONOHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
THEBAINE [MI]
Common Name English
(5.ALPHA.)-6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYLMORPHINAN
Systematic Name English
HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY I [EP IMPURITY]
Common Name English
IDS-NT-002
Code English
THEBAIN
Common Name English
PARAMORPHINE
Common Name English
Classification Tree Code System Code
DEA NO. 9333
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
NCI_THESAURUS C1657
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
Code System Code Type Description
PUBCHEM
5324289
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-084-1
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
MESH
D013797
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
CHEBI
59953
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
CAS
115-37-7
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
NCI_THESAURUS
C871
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
MERCK INDEX
m10697
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY Merck Index
CHEBI
9519
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
EVMPD
SUB181253
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID7046099
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
WIKIPEDIA
THEBAINE
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
FDA UNII
2P9MKG8GX7
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
SMS_ID
100000166925
Created by admin on Sat Dec 16 08:11:40 GMT 2023 , Edited by admin on Sat Dec 16 08:11:40 GMT 2023
PRIMARY
SALT/SOLVATE (PARENT)
Structure of THEBAINE SALICYLATE
SALT/SOLVATE (PARENT)
Structure of THEBAINE TARTRATE
SALT/SOLVATE (PARENT)
Structure of THEBAINE HYDROCHLORIDE
SUBSTANCE RECORD
Structure of THEBAINE
NIH
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