Hydrochlorothiazide Details
:
IUPAC Name
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
:Chemical Class
:CAS Registry Number
58-93-5
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 3639 |
| Molecular Weight (g/mol) | 297.739 |
| Molecular Formula | C7H8ClN3O4S2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| IUPAC Name | 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide |
| Canonical SMILES | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O |
| PUBCHEM IUPAC INCHIKEY | JZUFKLXOESDKRF-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -10.144 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 135 |
| BBB Level | 4 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -0.28 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Single-Carcinogen |
| Rat Female FDA | Non-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 4.4215 g/kg_body_weight |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | None |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 58-93-5 | ACE | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of ACE mRNA] | decreases^reaction|increases^expression | 16326922 |
| 2 | 58-93-5 | ACE | Rattus norvegicus | Hydrochlorothiazide results in increased expression of ACE mRNA | increases^expression | 18796534 |
| 3 | 58-93-5 | ACTA1 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of ACTA1 mRNA] | decreases^reaction|increases^expression | 16326922 |
| 4 | 58-93-5 | ADIPOQ | Mus musculus | Hydrochlorothiazide results in decreased expression of ADIPOQ mRNA | decreases^expression | 19730415 |
| 5 | 58-93-5 | AGTR1A | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of AGTR1A mRNA | decreases^expression | 18796534 |
| 6 | 58-93-5 | ALB | Bos taurus | Hydrochlorothiazide binds to ALB protein | affects^binding | 18059056 |
| 7 | 58-93-5 | AQP2 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Lithium results in decreased expression of AQP2 protein] | decreases^expression|decreases^reaction | 15504936 |
| 8 | 58-93-5 | AQP2 | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of AQP2 mRNA | decreases^expression | 17584643 |
| 9 | 58-93-5 | AQP2 | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of AQP2 protein | decreases^expression | 17584643 |
| 10 | 58-93-5 | ATP6V1B1 | Rattus norvegicus | Hydrochlorothiazide results in increased expression of ATP6V1B1 protein | increases^expression | 17311909 |
| 11 | 58-93-5 | AVPR2 | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of AVPR2 mRNA | decreases^expression | 17584643 |
| 12 | 58-93-5 | BDKRB1 | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of BDKRB1 mRNA | decreases^expression | 18796534 |
| 13 | 58-93-5 | CAT | Rattus norvegicus | [Hydrochlorothiazide co-treated with Fructose] results in decreased activity of CAT protein | affects^cotreatment|decreases^activity | 23707192 |
| 14 | 58-93-5 | CAT | Rattus norvegicus | Hydrochlorothiazide results in decreased activity of CAT protein | decreases^activity | 23707192 |
| 15 | 58-93-5 | CCL2 | Rattus norvegicus | Hydrochlorothiazide results in decreased expression of CCL2 mRNA | decreases^expression | 19627010 |
| 16 | 58-93-5 | CDKN1B | Rattus norvegicus | [troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of CDKN1B protein | affects^cotreatment|decreases^expression | 11318962 |
| 17 | 58-93-5 | CDKN2A | Rattus norvegicus | [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine] inhibits the reaction [Desoxycorticosterone Acetate affects the localization of CDKN2A protein] | affects^cotreatment|affects^localization|decreases^reaction | 18504326 |
| 18 | 58-93-5 | CDKN2A | Rattus norvegicus | [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine] inhibits the reaction [Desoxycorticosterone Acetate results in increased expression of CDKN2A mRNA] | affects^cotreatment|decreases^reaction|increases^expression | 18504326 |
| 19 | 58-93-5 | CMA1 | Rattus norvegicus | Hydrochlorothiazide affects the expression of CMA1 mRNA | affects^expression | 18796534 |
| 20 | 58-93-5 | CYBA | Rattus norvegicus | Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of CYBA] | decreases^expression|increases^reaction | 21107329 |
| 21 | 58-93-5 | CYBB | Rattus norvegicus | Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of CYBB] | decreases^expression|increases^reaction | 21107329 |
| 22 | 58-93-5 | CYP11B2 | Rattus norvegicus | Hydrochlorothiazide results in increased expression of CYP11B2 mRNA | increases^expression | 18796534 |
| 23 | 58-93-5 | EDN1 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of EDN1 mRNA] | decreases^reaction|increases^expression | 16326922 |
| 24 | 58-93-5 | FLT1 | Rattus norvegicus | [Hydralazine co-treated with Hydrochlorothiazide] inhibits the reaction [Cyclosporine results in increased expression of FLT1 mRNA] | affects^cotreatment|decreases^reaction|increases^expression | 12110003 |
| 25 | 58-93-5 | HLA-DPA1 | Homo sapiens | Hydrochlorothiazide affects the expression of HLA-DPA1 mRNA | affects^expression | 25811541 |
| 26 | 58-93-5 | HLA-DRB1 | Homo sapiens | Hydrochlorothiazide affects the expression of HLA-DRB1 mRNA | affects^expression | 25811541 |
| 27 | 58-93-5 | HLA-E | Homo sapiens | Hydrochlorothiazide affects the expression of HLA-E mRNA | affects^expression | 25811541 |
| 28 | 58-93-5 | HLA-F | Homo sapiens | Hydrochlorothiazide affects the expression of HLA-F mRNA | affects^expression | 25811541 |
| 29 | 58-93-5 | KLK1 | Rattus norvegicus | Hydrochlorothiazide results in increased expression of KLK1 mRNA | increases^expression | 18796534 |
| 30 | 58-93-5 | LEPR | Mus musculus | LEPR mutant form results in increased susceptibility to Hydrochlorothiazide | increases^response to substance | 22949526 |
| 31 | 58-93-5 | MR1 | Homo sapiens | Hydrochlorothiazide affects the expression of MR1 mRNA | affects^expression | 25811541 |
| 32 | 58-93-5 | MYH7 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of MYH7 mRNA] | decreases^reaction|increases^expression | 16326922 |
| 33 | 58-93-5 | NOS3 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in decreased expression of NOS3 protein] | decreases^expression|decreases^reaction | 16197366 |
| 34 | 58-93-5 | NOX1 | Rattus norvegicus | Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of NOX1] | decreases^expression|increases^reaction | 21107329 |
| 35 | 58-93-5 | NOX4 | Rattus norvegicus | Hydrochlorothiazide promotes the reaction [candesartan results in decreased expression of NOX4] | decreases^expression|increases^reaction | 21107329 |
| 36 | 58-93-5 | NPPB | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of NPPB mRNA] | decreases^reaction|increases^expression | 16326922 |
| 37 | 58-93-5 | NR3C2 | Rattus norvegicus | Hydrochlorothiazide results in increased expression of NR3C2 mRNA | increases^expression | 18796534 |
| 38 | 58-93-5 | PCNA | Rattus norvegicus | [troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of PCNA protein | affects^cotreatment|decreases^expression | 11318962 |
| 39 | 58-93-5 | PTGS2 | Rattus norvegicus | [rofecoxib results in decreased activity of PTGS2 protein] inhibits the reaction [Hydrochlorothiazide results in increased abundance of Prostaglandins] | decreases^activity|decreases^reaction|increases^abundance | 11703585 |
| 40 | 58-93-5 | RAMP2 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of RAMP2 protein] | decreases^reaction|increases^expression | 16326922 |
| 41 | 58-93-5 | RAMP3 | Rattus norvegicus | Hydrochlorothiazide inhibits the reaction [Nitric Oxide deficiency results in increased expression of RAMP3 protein] | decreases^reaction|increases^expression | 16326922 |
| 42 | 58-93-5 | REN | Homo sapiens | Hydrochlorothiazide results in increased activity of REN protein | increases^activity | 1930859|2920503 |
| 43 | 58-93-5 | REN | Homo sapiens | Hydrochlorothiazide results in increased expression of REN protein | increases^expression | 12569265 |
| 44 | 58-93-5 | REN | Homo sapiens | Losartan promotes the reaction [Hydrochlorothiazide results in increased expression of REN protein] | increases^expression|increases^reaction | 12569265 |
| 45 | 58-93-5 | REN | Homo sapiens | Sodium affects the reaction [Hydrochlorothiazide results in increased activity of REN protein] | affects^reaction|increases^activity | 1930859 |
| 46 | 58-93-5 | SERPINE1 | Rattus norvegicus | [troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of SERPINE1 mRNA | affects^cotreatment|decreases^expression | 11318962 |
| 47 | 58-93-5 | SERPINE1 | Rattus norvegicus | [troglitazone co-treated with [Hydrochlorothiazide co-treated with Hydralazine co-treated with Reserpine]] results in decreased expression of SERPINE1 protein | affects^cotreatment|decreases^expression | 11318962 |
| 48 | 58-93-5 | SLC12A3 | Hydrochlorothiazide results in decreased activity of SLC12A3 protein | decreases^activity | 21963515|22949526 | |
| 49 | 58-93-5 | SLC22A6 | Rattus norvegicus | Hydrochlorothiazide results in increased expression of SLC22A6 protein | increases^expression | 12897087 |
| 50 | 58-93-5 | SLC12A4 | Oryctolagus cuniculus | Trichlormethiazide results in decreased activity of SLC12A4 protein | decreases^activity | 10913127 |
| 51 | 58-93-5 | SLC12A7 | Mus musculus | Trichlormethiazide results in decreased activity of SLC12A7 protein | decreases^activity | 10913127 |
| 52 | 58-93-5 | TPMT | Homo sapiens | Trichlormethiazide results in decreased activity of TPMT protein | decreases^activity | 8866635 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 58-93-5 | Hydrochlorothiazide |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Mulethi | Mishri | Glucyrrhiza glabra mulethi essential oil |
Compound Image
2D Structure
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