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CHEBI:749941 - pumosetrag
| Formula | C15H17N3O2S |
| Net Charge | 0 |
| Average Mass | 303.387 |
| Monoisotopic Mass | 303.10415 |
| SMILES | O=C(N[C@H]1CN2CCC1CC2)c1cnc2ccsc2c1=O |
| InChI | InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1 |
| InChIKey | AFUWQWYPPZFWCO-LBPRGKRZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pumosetrag (CHEBI:749941) has role antispasmodic drug (CHEBI:53784) |
| pumosetrag (CHEBI:749941) is a aromatic carboxylic acid (CHEBI:33859) |
| pumosetrag (CHEBI:749941) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| INN | Source |
|---|---|
| pumosetrag | WHO MedNet |
| Synonym | Source |
|---|---|
| Ddp733 | ChEMBL |
| Citations |
|---|