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CAS 50-00-0

FormaldehydeFormalin

Codes: (VIII)270899-2-a, (XXXI)638294-1-d, (XIV)101438-55-a, Rifampicin-014, (XIII)909096-1-a, (X)909096-2-a,(X)909096-2-b

Application context (from source-drug indications)

Major depressive disorderEsketamine HydrochlorideSuicidal ideationEsketamine HydrochlorideDepressive disorderEsketamine HydrochlorideAnaesthesiaEsketamine HydrochlorideTreatment-resistant depressionEsketamine HydrochloridePainEsketamine HydrochlorideSystolic heart failureFinerenoneDiastolic heart failureFinerenoneHeart failureFinerenoneChronic renal impairmentFinerenoneDiabetic nephropathyFinerenoneType 2 diabetesFinerenoneBreast cancerPaclitaxel/Encequidar mesylateAdenocarcinomaPaclitaxel/Encequidar mesylateAngiosarcomaPaclitaxel/Encequidar mesylateSolid tumourPaclitaxel/Encequidar mesylateMycobacterium tuberculosis infectionEthambutol Hydrochloride/Rifampicin/IsoniazidPancreatic cancerPaclitaxelNon-small cell lung cancerPaclitaxelHodgkin's diseasePaclitaxelSeminomaPaclitaxelOvarian cancerPaclitaxelBreast cancerPaclitaxelMycobacterium tuberculosis infectionRifampicinMycobacterium leprae infectionRifampicinPulmonary tuberculosisRifampicinMeningococcal meningitisRifampicinCOVID-19RifampicinRespiratory viral infectionRifampicinNon-small cell lung cancerIruplinalkib

Source drugs (routes using this intermediate)

DrugTierExpiry
Esketamine HydrochlorideTier B — Position early2029
FinerenoneTier C — Watch / trade2030
Paclitaxel/Encequidar mesylateTier C — Watch / trade-
Ethambutol Hydrochloride/Rifampicin/IsoniazidTier C — Watch / trade-
PaclitaxelTier B — Position early-
RifampicinTier C — Watch / trade-
IruplinalkibTier C — Watch / trade-
Eptazocine hydrobromideTier 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.

Ethambutol Hydrochloride/Rifampicin/IsoniazidOptimised routesteps: 2total yield: /
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate→Acetic acid (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl ester→Formaldehyde→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-Pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-8-[(pyrrolidin-1-yl)methyl]-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-Pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-8-[(piperidin-1-yl)methyl]-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-Pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(morpholin-4-yl)methyl]-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→1-[[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-8-yl]methyl]piperidine-4-carboxylic acid→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-[(2,6-Dimethylpiperidin-1-yl)methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-Pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(4-methylpiperazin-1-yl)methyl]-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-[(Diethylamino)methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate→(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-[(Dimethylamino)methyl]-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

Intermediates available on this site

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SupplierProductPrice bandMOQLead timeQualificationsAction
Unibest Nantong cGMP Site4-Bromo-2-methoxybenzaldehyde
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Unibest Taizhou GMP-like Site4-formyl-3-methoxybenzonitrile
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Qualified Partner — East China API Works4-AMino-5-Methylpyridin-2-ol
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Unibest Nantong cGMP Site2-chloro-5-methylpyridin-4-amine
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Unibest Taizhou GMP-like Site2-Cyanoethyl 3-oxobutanoate
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Qualified Partner — East China API Works2-cyanoethyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
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