Norbuprenorphine
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Norbuprenorphine
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CAS No:
78715-23-8
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Formula:
C25H35NO4
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Chemical Name:
Norbuprenorphine
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Synonyms:
6,14-Ethenomorphinan-7-methanol,α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-,(αS,5α,7α)-;6,14-Ethenomorphinan-7-methanol,α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-,[5α,7α(S)]-;(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol;Norbuprenorphine;N-De(cyclopropylmethyl)buprenorphine;N-Dealkylbuprenorphine;N-Desalkylbuprenorphine;101233-63-0
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CAS No:
Safety Information
UN1230 - class 3 - PG 2 - Methanol, solution
1
11-23/24/25-39/23/24/25
16-36/37-45-7
F,T
|Danger|H302+H332 (60.94%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P312, P321, P330, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 128 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Norbuprenorphine has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(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-yl]oxy]oxane-2-carboxylic acid.
des(cyclopropylmethyl)buprenorphine
Computed Properties
Molecular Weight:413.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:413.25660860
Monoisotopic Mass:413.25660860
Topological Polar Surface Area:71
Heavy Atom Count:30
Complexity:752
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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