Prontalgine

HCID 129010982

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Basic information

CAS: 81705-03-5
Standard SMILES: CC(=O)Nc1ccc(O)cc1.CCC1(CCC(C)C)C(=O)NC(=O)NC1=O.CCC[N+](C)(C)CCCCCC(=O)CCc1ccccc1.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=P(O)(O)O.[Br-]
InChIKey: IPTISJQFTXXZRC-KMFZOGSNSA-M
Molecular formula: C64H93BrN9O15P
Average molar mass: 1,339.4 g/mol
Monoisotopic mass: 1,337.57121

Overview

combination of paracetamol, amobarbital, dimethyl-n-octyl(beta-benzoylethyl)ammonium bromide, codeine phosphate & caffeine

Names & identifiers

Preferred name: Prontalgine
IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;dimethyl-(6-oxo-8-phenyloctyl)-propylazanium;5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;N-(4-hydroxyphenyl)acetamide;phosphoric acid;1,3,7-trimethylpurine-2,6-dione;bromide
English name: prontalgine
Molecular formula: C64H93BrN9O15P
Molecular weight: 1339.352281

Names & synonyms

ProntalginProntalgine81705-03-5RefChem:1762467,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-N-octyl-gamma-oxobenzenepropanaminium bromide, 5-ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and N-(4-hydroxyphenyl)acetamideMorphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-N-octyl-gamma-oxobenzenepropanaminium bromide, 5-ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and N-(4-hydroxyphenyl)acetamide

Database identifiers

CAS: 81705-03-5
PubChem CID: 129010982

Properties

Computed structural properties

Topological polar surface area: 320 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 18
Rotatable bonds: 17
Heavy atoms: 90
Formal charge: 0
Complexity: 1,570

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Compound notes

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