(-)-2,3-Dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide (CED0178930)

Record Information

Version

1.0

Creation Date

2026-04-05 04:57:39 UTC

Update Date

2026-04-05 04:57:39 UTC

SynCED ID

CED0178930

Secondary Accession Numbers

CHEM092888

Identification

Common Name

(-)-2,3-Dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide

Class

Small Molecule

Description

(-)-2,3-Dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the chemical formula C16H25N3O5S.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₅N₃O₅S

Average Molecular Mass

Not Available

Monoisotopic Mass

371.151 g/mol

CAS Registry Number

73747-20-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)

InChI Key

SODOSTUXGWHQII-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1419.0 Log mg/kg [800:2500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	D(2) dopamine receptor	Q9GJU1	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.378 Applicability Domain 0.378 Statistical Significance 3.20e-04 Supporting Reference Compounds 1 E-value 2.49118
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.378 Statistical Significance 0.0213 Supporting Reference Compounds 528 E-value 165.897
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.378 Statistical Significance 0.038 Supporting Reference Compounds 1103 E-value 296.061
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.378 Statistical Significance 0.0256 Supporting Reference Compounds 524 E-value 199.138
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.378 Statistical Significance 0.0344 Supporting Reference Compounds 861 E-value 267.801
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.378 Statistical Significance 0.047 Supporting Reference Compounds 562 E-value 366.203
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.378 Statistical Significance 0.0385 Supporting Reference Compounds 565 E-value 299.797
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.378 Statistical Significance 0.0464 Supporting Reference Compounds 472 E-value 361.376
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.351 Statistical Significance 0.0882 Supporting Reference Compounds 953 E-value 686.864
Click to view 3D structure	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.316 Statistical Significance 0.0364 Supporting Reference Compounds 145 E-value 283.06
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.338 Statistical Significance 0.1273 Supporting Reference Compounds 955 E-value 990.787
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.378 Statistical Significance 0.0589 Supporting Reference Compounds 372 E-value 458.454
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.378 Statistical Significance 0.0749 Supporting Reference Compounds 487 E-value 583.246
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.338 Statistical Significance 0.0989 Supporting Reference Compounds 686 E-value 769.695
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.316 Statistical Significance 0.0378 Supporting Reference Compounds 206 E-value 294.504
Click to view 3D structure	Equilibrative nucleoside transporter 2	O54699	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.275 Low confidence Statistical Significance 0.004 Supporting Reference Compounds 1 E-value 31.2954
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.299 Low confidence Statistical Significance 0.0845 Supporting Reference Compounds 536 E-value 657.982
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.378 Statistical Significance 0.101 Supporting Reference Compounds 541 E-value 786.589
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.299 Low confidence Statistical Significance 0.0724 Supporting Reference Compounds 308 E-value 563.317
Click to view 3D structure	5-hydroxytryptamine receptor 4	Q62758	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.278 Low confidence Statistical Significance 0.0117 Supporting Reference Compounds 55 E-value 91.3171
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.282 Low confidence Statistical Significance 0.1648 Supporting Reference Compounds 823 E-value 1282.64
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.288 Low confidence Statistical Significance 0.0784 Supporting Reference Compounds 337 E-value 610.182
Click to view 3D structure	5-hydroxytryptamine receptor 4	O70528	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.278 Low confidence Statistical Significance 0.0257 Supporting Reference Compounds 94 E-value 200.384
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.278 Low confidence Statistical Significance 0.0921 Supporting Reference Compounds 425 E-value 716.836
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.278 Low confidence Statistical Significance 0.0566 Supporting Reference Compounds 208 E-value 440.315