Flumedroxone acetate, meprobamate, n-pentylhydroflumethiazide drug combination

HCID 192153

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Basic information

CAS: 78393-41-6
Standard SMILES: CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCC(C)(COC(N)=O)COC(N)=O.CCCCCC1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1
InChIKey: UCAHXCQNYNXTHT-YCQBCPFOSA-N
Molecular formula: C46H67F6N5O12S2
Average molar mass: 1,060.2 g/mol
Monoisotopic mass: 1,059.41318391

Overview

used in treatment of premenstrual tension; contains 1 mg flumedroxone acetate, 2 mg n-pentylhydroflumethiazide, 200 mg meprobamate

Names & identifiers

Preferred name: Flumedroxone acetate, meprobamate, n-pentylhydroflumethiazide drug combination
IUPAC: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate;1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

Names & synonyms

Praemenstron78393-41-6Flumedroxone acetate, meprobamate, n-pentylhydroflumethiazide drug combinationPregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(trifluoromethyl)-, (6alpha)-, mixt. with 3,4-dihydro-3-pentyl-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1 dioxide and 2-methyl-2-propyl-1,3-propanediol dicarbamateRefChem:140839Flumedroxone acetate-meprobamate-n-pentylhydroflumethiazidePremenstrone[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate;1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamideFlumedroxone acetate - meprobamate - n-pentylhydroflumethiazide

Database identifiers

CAS: 78393-41-6
PubChem CID: 192153

Properties

Computed structural properties

Topological polar surface area: 300 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 21
Rotatable bonds: 16
Heavy atoms: 71
Formal charge: 0
Complexity: 1,740

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Compound notes

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