Ocfentanil structure

Ocfentanil

N-[(7S)-10-butoxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Also Known As: Ocfentanil|O'-Butylcolchicine|Telluronium, dimethylphenyl-, bromide|1,2,4-Trimethyl-2-phenyl-[1,2]azagermolidine|2,4-Dimethyl-1,2-diphenyl-[1,2]azagermolidine|Telluronium, methylphenyl(phenylmethyl)-, bromide|(S)-N-(10-Butoxy-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide|1-Methyl-5,7-diaza-spiro[2.5]octane-4,6,8-trione|1-methyl-2,2,5,5-tetraphenyl-1,2,5-azadigermolidine|Acetamide, N-(10-butoxy-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-|Phosphorodiamidic acid, N-(2-chloroethyl)-N-(2-hydroxyethyl)-|N-[(7S)-10-butoxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide|1(3H)-Isobenzofuranone, 3-(4-hydroxyphenyl)-3-[4-(sulfooxy)phenyl]-|(S)-7-(Acetylamino)-6,7-dihydro-1,2,3-trimethoxy-10-butoxybenzo[a]heptalen-9(5H)-one|6-(5,5-dihydroxy-54-hexaoxidaneyl)-10-(1-oxidaneyl)-6H-13,23,34,43,54,63,74,83,93,104,113,124,144-bis(hexaoxino)[1,6-c:6',1'-f]hexaoxin-3-ol|N-[(10S)-14-butoxy-3,4,5-trimethoxy-13-oxotricyclo[9.5.0.02,7]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]acetamide|N-[(7S)-10-Butoxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

CAS: 101342-65-8
Molecular Formula C25H31NO6
Molecular Weight 441.21515 g/mol
LogP 2.3
Topological Polar Surface Area 83.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 441.21515
Monoisotopic Mass 441.21515
Heavy Atoms 32
Complexity 785.0

Chemical Identifiers

CAS Number 101342-65-8
SMILES CCCCOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
InChIKey QNOGISAETFMXJL-IBGZPJMESA-N

Product Overview

Ocfentanil (CAS 101342-65-8), with molecular formula C25H31NO6 and molecular weight 441.21515 g/mol. IUPAC: N-[(7S)-10-butoxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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