CAS 629652-42-2

Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Description:

Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, with CAS number 629652-42-2, is a complex organic compound characterized by its intricate molecular structure, which includes a pyridoindole framework and a benzodioxole moiety. This compound features multiple functional groups, including an ester (carboxylate) and a chloroacetyl group, which contribute to its potential reactivity and biological activity. The stereochemistry indicated by the (1S,3S) configuration suggests specific spatial arrangements of atoms that may influence its interactions in biological systems. Such compounds are often investigated for their pharmacological properties, including potential applications in medicinal chemistry. The presence of the benzodioxole ring may also suggest antioxidant or neuroprotective properties, common in compounds with similar structures. Overall, this substance exemplifies the complexity and diversity of organic molecules that can be synthesized for various applications in research and industry.

Formula: C₂₂H₁₉ClN₂O₅

InChI: InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m0/s1

InChI key: InChIKey=JUKHNCNDFOAFLT-KKSFZXQISA-N

SMILES: C(CCl)(=O)N1[C@H](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C(OC)=O)C=4C=C5C(=CC4)OCO5

Synonyms:

• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1S,3S)-
• Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
• 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1S,3S)-

Tadalafil Impurity 3

CAS: 629652-42-2

Formula: C₂₂H₁₉ClN₂O₅

Color and Shape: Off-White Solid

Molecular weight: 426.85

Ref: 4Z-T-1053

(1S,3S)-Chloropretadalafil

Controlled Product

CAS: 629652-42-2

Applications Tadalafil (T004500) derivative.
References Beghyn, T. et al.: Bioorgan. Med. Chem. Lett. 17, 789(2007)

Formula: C₂₂H₁₉ClN₂O₅

Color and Shape: Neat

Molecular weight: 426.85

Ref: TR-B200005

(1S, 3S) Open Ring Tadalafil Impurity

CAS: 629652-42-2

Formula: C₂₂H₁₉ClN₂O₅

Molecular weight: 426.9

Ref: ST-EA-CP-T31039

(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

(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 is a synthetic molecule that is used as an analytical standard for HPLC. It is also used in the research and development of drugs. This compound has been shown to be an impurity in drug products and a metabolite of many compounds. (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4]-b]indole carboxylic acid methyl ester has a molecular weight of 372.64 grams per mole and the

Formula: C₂₂H₁₉ClN₂O₅

Purity: Min. 95%

Molecular weight: 426.8 g/mol

Ref: 3D-EAB65242