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Norbuprenorphine Hydrochloride

CAT: 1459-CS-O-36006Size: 1 EachDry Ice: NoHazardous: No
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Description
Norbuprenorphine Hydrochloride is listed under API and is intended for research and analytical applications. It is associated with Buprenorphine. 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
209963-02-0
Synonyms
Norbuprenorphine Hydrochloride
Molecular Formula
C 25 H 35 NO 4
Molecular Weight
413.5
Additionnal Information
Norbuprenorphine Hydrochloride 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

Norbuprenorphine hydrochloride
CAS Number209963-02-0
PubChem CID166177205
IUPAC Name(1S,2S,6R,14R,15R,16R)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride
Molecular FormulaC25H36ClNO4
Molecular Weight450.0
Topological Polar Surface Area71
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity752
SMILES
C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3CC6=C5C(=C(C=C6)O)O4)OC)(C(C)(C)C)O.Cl
InChI
InChI=1S/C25H35NO4.ClH/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24;/h6-7,16-17,20,26-28H,8-13H2,1-5H3;1H/t16-,17-,20-,22+,23-,24+,25-;/m1./s1
InChIKey
HAFFMAAVKOFVLD-GAZCGFTGSA-N
Chemical Structure
2D Structure
2D structure of Norbuprenorphine hydrochloride
CAS: 209963-02-0
CID: 166177205
Formula: C25H36ClNO4
MW: 450.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass449.2332863
Monoisotopic Mass449.2332863
Topological Polar Surface Area71 Ų
Heavy Atom Count31
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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