THEBAINE HYDROCHLORIDE

Cl.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14C5=CC=C2OC)=CC=C3OC

InChIKey=KTFNLKDWNNDGLZ-JFYDKBSOSA-N

InChI=1S/C19H21NO3.ClH/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;1H/t13-,18+,19+;/m1./s1

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Targets

Primary Target	Pharmacology	Condition	Potency
Mu opioid receptor 221 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17616524 \| https://www.ncbi.nlm.nih.gov/pubmed/9988096	Partial Agonist 290		5.6 µM [EC50]

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:27:50 GMT 2023` Edited by `admin` on `Sat Dec 16 08:27:50 GMT 2023`
Record UNII	8X5NCS8L60
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

THEBAINE HYDROCHLORIDE

Common Name

English

NSC-11428

Code

English

(-)-THEBAINE HYDROCHLORIDE

Common Name

English

MORPHINAN, 6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, HYDROCHLORIDE (1:1), (5.ALPHA.)-

Systematic Name

English

(5-.ALPHA.)-6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYLMORPHINAN HYDROCHLORIDE

Common Name

English

ANHYDROUS THEBAINE HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

850-57-7