CAS 123-72-8

butyraldehydeButanalButyraldehyde1-Butanone

Codes: Budesonide-006, TELM-022, Tetracaine-008, (I)115092-7-a, LUBI-028, LUCER-002

Application context (from source-drug indications)

AsthmaBudesonide/Formoterol fumarate/Glycopyrronium BromideChronic obstructive pulmonary diseaseBudesonide/Formoterol fumarate/Glycopyrronium BromideHypertensionTelmisartan/Amlodipine Besylate/HydrochlorothiazideAnaesthesiaOxymetazoline Hydrochloride/Tetracaine HydrochloridePeriapical periodontitisOxymetazoline Hydrochloride/Tetracaine HydrochlorideDental cariesOxymetazoline Hydrochloride/Tetracaine HydrochlorideHypertensionRosuvastatin Calcium/TelmisartanHyperlipidaemiaRosuvastatin Calcium/TelmisartanAsthmaBudesonide/Salmeterol xinafoateHypertensionAmlodipine Besylate/TelmisartanGlaucomaProxodolol hydrochloride/Pilocarpine HydrochlorideConstipationLubiprostoneOpioid-induced constipationLubiprostoneChronic idiopathic constipationLubiprostoneDrug-related adverse effects and reactionsLubiprostoneNon-alcoholic steatohepatitisLubiprostonePeritoneal cancerLubiprostoneHypertensionTelmisartanBreast cancerTelmisartanCardiomyopathyTelmisartanAlzheimer's diseaseTelmisartanRisk-reduction measureTelmisartanMyocardial infarctionTelmisartanEosinophilic oesophagitisBudesonide (Shire)AnaesthesiaTetracaine HydrochlorideRetinitis pigmentosaTetracaine HydrochloridePainTetracaine Hydrochloride闭角型青光眼Pilocarpine HydrochlorideOcular hypertensionPilocarpine HydrochlorideOpen-angle glaucomaPilocarpine Hydrochloride瞳孔缩小Pilocarpine HydrochlorideSjögren's syndromePilocarpine Hydrochloride虹膜炎Pilocarpine HydrochlorideFabry diseaseLucerastat

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
Budesonide/Formoterol fumarate/Glycopyrronium Bromide	Tier B — Position early	-
Telmisartan/Amlodipine Besylate/Hydrochlorothiazide	Tier C — Watch / trade	-
Oxymetazoline Hydrochloride/Tetracaine Hydrochloride	Tier C — Watch / trade	-
Rosuvastatin Calcium/Telmisartan	Tier C — Watch / trade	-
Budesonide/Salmeterol xinafoate	Tier C — Watch / trade	-
Amlodipine Besylate/Telmisartan	Tier C — Watch / trade	-
Proxodolol hydrochloride/Pilocarpine Hydrochloride	Tier C — Watch / trade	-
Lubiprostone	Tier C — Watch / trade	-
Telmisartan	Tier B — Position early	-
Budesonide (Shire)	Tier C — Watch / trade	-
Tetracaine Hydrochloride	Tier C — Watch / trade	-
Pilocarpine Hydrochloride	Tier C — Watch / trade	-
Lucerastat	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

Budesonide/Formoterol fumarate/Glycopyrronium BromideOriginator routesteps: 5total yield: /

Budesonide→2-((8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate→2-((8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate→2-((8S,9R,10S,11S,13S,14S,16R,17S)-9-bromo-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate→2-oxo-2-((8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate→(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one→butyraldehyde

Telmisartan/Amlodipine Besylate/HydrochlorothiazideOptimised routesteps: 4total yield: 86.7 mg

methyl 4'-(bromomethyl)-[1,1'-biphenyl]-2-carboxylate→4-bromo-2-methyl-6-nitroaniline→butyraldehyde→6-bromo-4-methyl-2-propyl-1H-benzo[d]imidazole→4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi(1,3,2-dioxaborolane)→TELM-025→TELM-026→2-bromo-1-methyl-1H-benzo[d]imidazole

Oxymetazoline Hydrochloride/Tetracaine HydrochlorideOptimised routesteps: 6total yield: /

4-Nitrobenzoic acid→4-Nitrobenzoyl chloride→N,N-Dimethylaminoethanol→2-(Dimethylamino)ethyl 4-nitrobenzoate hydrogen chloride→2-(Dimethylamino)ethyl 4-nitrobenzoate→2-(Dimethylamino)ethyl 4-aminobenzoate hydrogen chloride→4-Aminobenzoic acid 2-(dimethylamino)ethyl ester→Butanal→1-Bromobutane→4-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester

Oxymetazoline Hydrochloride/Tetracaine HydrochlorideOptimised routesteps: 3total yield: 93.5g(Tetracaine)

4-Aminobenzoic acid→Butanal→N,N-Dimethyl-2-hydroxyethylamine

Oxymetazoline Hydrochloride/Tetracaine HydrochlorideOptimised routesteps: 3total yield: /

Ethyl 4-nitrobenzoate→4-Aminobenzoic acid ethyl ester→Butyraldehyde→4-(Butylamino)benzoic acid ethyl ester→N,N-Dimethyl-2-hydroxyethylamine→4-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester

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