THEBAINE TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21NO3.C4H6O6
Molecular Weight	461.4618
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SRTMESYUHNZYJG-RQJCEIHKSA-N

InChI=1S/C19H21NO3.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h4-7,13,18H,8-10H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t13-,18+,19+;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C19H21NO3
Molecular Weight	311.3749
Charge	0
Count

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

Approval Year

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 11:07:14 UTC 2023` Edited by `admin` on `Sat Dec 16 11:07:14 UTC 2023`
Record UNII	S84GQ3GX9Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THEBAINE TARTRATE

Common Name

English

MORPHINAN, 6,7,8,14-TETRADEHYDRO-4,5.ALPHA.-EPOXY-3,6-DIMETHOXY-17-METHYL-, TARTRATE

Common Name

English

THEBAINE BITARTRATE

Common Name

English

MORPHINAN, 6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE

Systematic Name

English

ANHYDROUS THEBAINE TARTRATE

Common Name

English

Code System Code Type Description

CAS

94713-28-7