Codeinone

CAT: 0926-FC16660-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FC16660-01Size:10 g

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CAS Number

467-13-0

Synonyms

(5a) -7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-morphinan-6-one;7,8-Didehydro-4,5a-epoxy-3-methoxy-17-methyl-morphinan-6-one; (-) -Co deinone

MDL Number

MFCD28988625

Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C (=C (C=C5) OC) O[C@H]3C (=O) C=C4

Molecular Formula

C18H19NO3

Molecular Weight

297.35 g/mol

Controlled

Chemical Information

Codeinone

Codeinone is an isoquinoline alkaloid. It is functionally related to a morphine. It is a conjugate base of a codeinone(1+).

CAS Number	467-13-0
PubChem CID	5459910
IUPAC Name	(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular Formula	C18H19NO3
Molecular Weight	297.3
XLogP	2.2
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	546

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C=C4

InChI

InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1

InChIKey

XYYVYLMBEZUESM-CMKMFDCUSA-N

Chemical Structure

2D Structure

CAS: 467-13-0

CID: 5459910

Formula: C18H19NO3

MW: 297.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	297.3
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	297.13649347
Monoisotopic Mass	297.13649347
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	546
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C-0010-01	Codeine
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FC63563-01	Codeine-D3 solution
FC161072-01	Codeine Impurity F
80-1129	Codeine 6-HRP
FC161073-01	Codeine Impurity D
GAA85440	Codeine sulfate cii
RBA44462-01	Codeine phosphate hemihydrate

Alternative Products

Catalog	Name
TRC-C635000-50MG	Codeinone
TRC-H922200-10MG	14-Hydroxy Codeinone
AR-C05439-01	10-Hydroxy Codeinone
TRC-KIT3830-1X1ML	Codeinone (1.0mg/ml in Acetonitrile)
TRC-D452320-1MG	8Beta,14-Dihydroxy-7,8-dihydro Codeinone
TRC-KIT4325-1X1ML	8beta,14-Dihydroxy-7,8-dihydro Codeinone (1mg/ml in Acetonitrile)

Codeinone

Chemical Information

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