N-Nitroso Codeine EP Impurity H

CAT: 1596-AR-C09132-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C09132-06Size:250 Units

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CAS Number

77774-24-4

Synonyms

(4R,4aR,7S,7aR,12bS) -9-Methoxy-3-nitroso-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Molecular Formula

C17H18N2O4

Molecular Weight

314.3

API Name

Codeine

Chemical Information

3-Methoxy-17-nitroso-7,8-didehydro-4,5-epoxymorphinan-6-ol

CAS Number	77774-24-4
PubChem CID	281725
IUPAC Name	9-methoxy-3-nitroso-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular Formula	C17H18N2O4
Molecular Weight	314.34
XLogP	1.1
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	555

SMILES

COC1=C2C3=C(CC4C5C3(CCN4N=O)C(O2)C(C=C5)O)C=C1

InChI

InChI=1S/C17H18N2O4/c1-22-13-5-2-9-8-11-10-3-4-12(20)16-17(10,6-7-19(11)18-21)14(9)15(13)23-16/h2-5,10-12,16,20H,6-8H2,1H3

InChIKey

NGNCKOKHKZDIHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77774-24-4

CID: 281725

Formula: C17H18N2O4

MW: 314.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.34
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	314.12665706
Monoisotopic Mass	314.12665706
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	555
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C05468-01	Codeine EP Impurity H
AR-C05447-01	Codeine EP Impurity A
AR-T06147-01	N-Nitroso Tryptophan EP Impurity H
AR-L07907-01	N-Nitroso Lufenuron EP Impurity H
AR-E08987-01	N-Nitroso Etodolac EP Impurity H
AR-V06497-01	N-Nitroso Venlafaxine EP Impurity H
AR-N08524-01	N-Nitroso Nicergoline EP Impurity H
AR-C05473-01	Codeine EP Impurity F
AR-C05471-01	Codeine EP Impurity D
AR-C05470-01	Codeine EP Impurity C

Catalog	Name
RM-C150714-01	Codeine Nitroso Impurity 14
RM-C150715-01	Codeine Nitroso Impurity 15
CS-O-57304	N-nitroso codeine EP impurity H
CS-DH-00017	Codeine Impurity A
FC161072-01	Codeine Impurity F
FC161073-01	Codeine Impurity D
RM-C150701-01	Codeine EP Impurity A
CS-O-34419	Codeine Impurity M
CS-O-39414	Codeine - Impurity D
CS-O-38717	CODEINE IMPURITY 2