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2-Bromo Codeine

CAT: 1459-CS-TA-66433Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-TA-66433Size:1 Each
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Description
2-Bromo Codeine is listed under Other 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
898286-95-8
Synonyms
2-Bromo Codeine
Molecular Formula
C 18 H 20 BrNO 3
Molecular Weight
378.26
Additionnal Information
2-Bromo Codeine 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

2-Bromo Codeine
CAS Number898286-95-8
PubChem CID171379517
IUPAC Name(4R,4aR,7S,7aR,12bS)-10-bromo-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular FormulaC18H20BrNO3
Molecular Weight378.3
XLogP1.8
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity542
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)OC)Br
InChI
InChI=1S/C18H20BrNO3/c1-20-6-5-18-10-3-4-13(21)17(18)23-16-14(18)9(8-12(10)20)7-11(19)15(16)22-2/h3-4,7,10,12-13,17,21H,5-6,8H2,1-2H3/t10-,12+,13-,17-,18-/m0/s1
InChIKey
DEJSCWNUDGBAHL-PPCNUZDGSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo Codeine
CAS: 898286-95-8
CID: 171379517
Formula: C18H20BrNO3
MW: 378.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.3
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass377.06266
Monoisotopic Mass377.06266
Topological Polar Surface Area41.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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