(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester

cas: 629652-42-2 — see every product listed under this CAS number, including other names

(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester (CAS 629652-42-2) is a chemical reagent available from Chemat. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberEAB65242-2mg
cas629652-42-2
size2mg
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properties

categoryImpurities
purityNo data
delivery time4-6 weeks
Structural formula: {0} (CAS {1})

Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate (CAS 629652-42-2) is a chemical compound with the molecular formula C22H19ClN2O5 and a molecular weight of 426.8 g/mol. IUPAC name: methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate. InChIKey: JUKHNCNDFOAFLT-KKSFZXQISA-N.

Identity
Molecular formulaC22H19ClN2O5
Molecular weight426.8 g/mol
IUPAC namemethyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
InChIKeyJUKHNCNDFOAFLT-KKSFZXQISA-N
SMILESCOC(=O)[C@@H]1CC2=C([C@@H](N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

Computed by PubChem (NCBI)

Synonyms: Tadalafil Impurity 13, Tadalafil Impurity 17, JUKHNCNDFOAFLT-KKSFZXQISA-N, (1S,3S)-Chloropretadalafil
Related forms of this compound
methyl (1R,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate C22H19ClN2O5
Isomers (same molecular formula)
4-[[2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetyl]amino]pyridine-2-carboxylic acid C22H19ClN2O5
4-[(1S,3R)-2-(2-chloroacetyl)-3-methoxycarbonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoic acid C22H19ClN2O5

Also listed as

Tadalafil Impurity 3 Chemat Brand CAS 629652-42-2
(1S,3S)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, 97% Chemat Brand CAS 629652-42-2
Tadalafil Impurity 10 Hubei YoungXin CAS 629652-42-2
(1S,3S)-Chloropretadalafil TRC CAS 629652-42-2