
API0233169
Buprenorphine
Buprenorphine Hydrochloride is an opioid analgesic.
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CAS No.
52485-79-7
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Synonyms
buprenorphine; Temgesic; 52485-79-7
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CHEMBL ID
CHEMBL560511
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Indications
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Molecule Type
Small molecule
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Compound CID
644073
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Molecular Weight (g/mol)
467.6
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Molecular Formula
C29H41NO4
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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
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InChIKey
RMRJXGBAOAMLHD-IHFGGWKQSA-N
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SMILES
C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O
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IUPAC Name
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-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
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Exact Mass (Da)
467.30355879
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Monoisotopic Mass (Da)
467.30355879
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