Codeine Impurity 16

CAT: 1299-RM-C150716-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C150716-01Size:10 mg

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CAS Number

240131-71-9

Synonyms

(4bR,8aS,9S) -4-hydroxy-3,7-dimethoxy-9,10-dihydro-5H-9,4b- (epiminoethano) phenanthren-6 (8aH) -one

Molecular Formula

C18H21NO4

Molecular Weight

315.37

Target Alternative Name

Codeine

Chemical Information

(9alpha,13alpha,14alpha)-4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-one

CAS Number	240131-71-9
PubChem CID	18722882
IUPAC Name	3-hydroxy-4,12-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Molecular Formula	C18H21NO4
Molecular Weight	315.4
XLogP	1.7
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	533

SMILES

COC1=C(C2=C(CC3C4C2(CCN3)CC(=O)C(=C4)OC)C=C1)O

InChI

InChI=1S/C18H21NO4/c1-22-14-4-3-10-7-12-11-8-15(23-2)13(20)9-18(11,5-6-19-12)16(10)17(14)21/h3-4,8,11-12,19,21H,5-7,9H2,1-2H3

InChIKey

BJJRDCBDIOEIKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 240131-71-9

CID: 18722882

Formula: C18H21NO4

MW: 315.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.4
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	315.14705815
Monoisotopic Mass	315.14705815
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-C150701-01	Codeine EP Impurity A
RM-C150709-01	Codeine Impurity 9
RM-C150712-01	Codeine EP Impurity J
RM-C150714-01	Codeine Nitroso Impurity 14
RM-C150715-01	Codeine Nitroso Impurity 15
RM-C150704-01	Codeine EP Impurity D
RM-C150705-01	Codeine EP Impurity E
RM-C150706-01	Codeine EP Impurity F
RM-C150713-01	Codeine EP Impurity M
RM-C150703-01	Codeine EP Impurity C (codeine dimer) (controlled substance)