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10a-Hydroxycodeine

CAT: 1459-CS-T-55778Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-55778Size:1 Each
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Description
10a-Hydroxycodeine is listed under Impurity and is intended for research and analytical applications. It is associated with Codeine. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
16589-96-1
Synonyms
10a-Hydroxycodeine
Additionnal Information
10a-Hydroxycodeine is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

10alpha-Hydroxycodeine
CAS Number16589-96-1
PubChem CID54541127
IUPAC Name(4S,4aR,7S,7aR,12bS,13S)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-diol
Molecular FormulaC18H21NO4
Molecular Weight315.4
XLogP0
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity539
SMILES
CN1CC[C@]23[C@@H]4[C@H]1[C@H](C5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)O
InChI
InChI=1S/C18H21NO4/c1-19-8-7-18-10-4-5-11(20)17(18)23-16-12(22-2)6-3-9(13(16)18)15(21)14(10)19/h3-6,10-11,14-15,17,20-21H,7-8H2,1-2H3/t10-,11-,14-,15-,17-,18-/m0/s1
InChIKey
ZDGQZOCAKDGPRA-QYCRFYRPSA-N
Chemical Structure
2D Structure
2D structure of 10alpha-Hydroxycodeine
CAS: 16589-96-1
CID: 54541127
Formula: C18H21NO4
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass315.14705815
Monoisotopic Mass315.14705815
Topological Polar Surface Area62.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity539
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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