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CHEBI:748785 - ncx 1000
| Formula | C38H55NO10 |
| Net Charge | 0 |
| Average Mass | 685.855 |
| Monoisotopic Mass | 685.38260 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)Oc3cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc3OC)[C@]1([H])[C@@H](O)C2 |
| InChI | InChI=1S/C38H55NO10/c1-24(28-10-11-29-36-30(16-18-38(28,29)3)37(2)17-15-27(40)22-26(37)23-31(36)41)7-13-35(43)49-33-21-25(8-12-32(33)46-4)9-14-34(42)47-19-5-6-20-48-39(44)45/h8-9,12,14,21,24,26-31,36,40-41H,5-7,10-11,13,15-20,22-23H2,1-4H3/b14-9+/t24-,26+,27-,28-,29+,30+,31+,36+,37+,38-/m1/s1 |
| InChIKey | RISQVQFWBQSZQE-OBOLPPCUSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ncx 1000 (CHEBI:748785) has role antihypertensive agent (CHEBI:35674) |
| ncx 1000 (CHEBI:748785) is a bile acid (CHEBI:3098) |
| Synonym | Source |
|---|---|
| Ncx 1000 | ChEMBL |