| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 24 | No |
Popular Name: Torsemide Torsemide
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 22204-88-2 , 56211-40-6 , [22204-88-2] , [56211-40-6]
(1R,2R)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol hydrochloride (1:1)
1-isopropyl-3-((4-(3-methylphenylamino)pyridine)-3-sulfonyl)urea
1-Isopropyl-3-((4-m-toluidino-3-pyridyl)sulfonyl)urea
1-isopropyl-3-[(4- m -toluidino-3-pyridyl) sulfonyl]urea
1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea
1-[4-(3-Methylphenyl)aminopyridin-3-yl]sulfonyl-3-propan-2-yl-urea
3-Pyridinesulfonamide, N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-
3-pyridinesulfonamide, N-[[(1-methylethyl)amino]carbonyl]-4-[(3-methylphenyl)amino]-
3-pyridinesulfonamide,N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-
56211-40-6; D00382; Demadex (TN); Luprac (TN); Torasemide (JAN/INN); Torsemide (USP)
CPD000466313; SAM001246567; TORASEMIDE
D08619; Torasemide sodium; Torem (TN)
N-(((1-Methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-3-pyridinesulfonamide
N-(isopropylcarbamoyl)-4-(m-tolylamino)pyridine-3-sulfonamide
N-[(isopropylamino)carbonyl]-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide
N-{[(1-methylethyl)amino]carbonyl}-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide
Torasemida [INN-Spanish]; Torasemidum [INN-Latin]; Torsemide
Torasemida [INN-Spanish];Torasemidum [INN-Latin];Torsemide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.23 | 1.71 | -56.13 | 3 | 7 | 0 | 108 | 348.428 | 6 | ↓ |
| Ref Reference (pH 7) | 2.23 | 1.16 | -39.45 | 4 | 7 | 1 | 105 | 349.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 0.69 | -16.82 | 3 | 7 | 0 | 104 | 348.428 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 1.24 | -55.01 | 2 | 7 | -1 | 107 | 347.42 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 161 | TCI |
| ALOGPS_SOLUBILITY | 5.96e-02 g/l | DrugBank-approved |
| Indications | antihypertensive, diuretic | KeyOrganics Bioactives |
| Therapy | diuretic, inhibits Na/K/2Cl carrier system | SMDC Iconix |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02525t | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02525t | NIH Clinical Collection via PubChem |
No pre-computed analogs available. Try a structural similarity search.