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Buprenorphine EP Impurity G

CAT: 1459-CS-O-33650Size: 1 EachDry Ice: NoHazardous: No
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Description
Buprenorphine EP Impurity G is listed under Impurity 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
163597-04-4
Synonyms
Buprenorphine EP Impurity G
Molecular Formula
C 58 H 80 N 2 O 8
Molecular Weight
933.26
Additionnal Information
Buprenorphine EP Impurity G 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

Pubchem_71751866
CAS Number163597-04-4
PubChem CID71751866
IUPAC Name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-10-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-16-(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-8,10,12(20)-trien-10-yl]-16-(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-8,10,12(20)-trien-11-ol
Molecular FormulaC58H80N2O8
Molecular Weight933.3
XLogP9.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count68
Formal Charge0
Complexity1940
SMILES
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=CC(=C(C(=C56)O4)O)C7=C(C8=C9C(=C7)C[C@@H]1[C@@]23[C@]9(CCN1CC1CC1)[C@@H](O8)[C@@](CC2)([C@H](C3)C(C)(C(C)(C)C)O)OC)O)CC1CC1)OC)O
InChI
InChI=1S/C58H80N2O8/c1-49(2,3)51(7,63)37-27-53-15-17-57(37,65-9)47-55(53)19-21-59(29-31-11-12-31)39(53)25-33-23-35(43(61)45(67-47)41(33)55)36-24-34-26-40-54-16-18-58(66-10,38(28-54)52(8,64)50(4,5)6)48-56(54,42(34)46(68-48)44(36)62)20-22-60(40)30-32-13-14-32/h23-24,31-32,37-40,47-48,61-64H,11-22,25-30H2,1-10H3/t37-,38-,39-,40-,47-,48-,51?,52?,53-,54-,55+,56+,57-,58-/m1/s1
InChIKey
IIKJUPFUFVJKHV-BFVCJTJTSA-N
Chemical Structure
2D Structure
2D structure of Pubchem_71751866
CAS: 163597-04-4
CID: 71751866
Formula: C58H80N2O8
MW: 933.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight933.3
XLogP39.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass932.59146751
Monoisotopic Mass932.59146751
Topological Polar Surface Area124 Ų
Heavy Atom Count68
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-B211611-01Buprenorphine Impurity 11 (controlled substance)
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