Buprenorphine, free base
Product Code
NMIAD932
CAS Number
Product Format
Neat
Molecular Formula
C29 H41 N O4
Molecular Weight
467.64
Product Categories
Opiate and Opioid Reference Materials , National Measurement Institute Australia (NMIA)
Product Type
Second SourceAlternate CAS Number
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Buprenorphine
CAS Number
52485-79-7
Molecular Formula
C29 H41 N O4
Molecular Weight
467.64
Accurate Mass
467.3036
SMILES
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56
InChI
InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29?/m1/s1
IUPAC
[5α,7α(S)]-17-(Cyclopropylmethyl)-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol
Alternate CAS Number
Hydrochloride salt: 53152-21-9
Storage & Transport Information
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
AUSTRALIA
Tariff Code
29391100
Product Attributes
Product Type
Second Source
Product Format
Neat
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